N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

C27H27N5O4S3 — CID 59135981

IUPACN-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCN1C(=O)C2CN(Cc3cnc(-c4cc5cccc(N(CC6CC6)S(=O)(=O)c6cccs6)c5[nH]4)s3)CC2C1=O
InChIInChI=1S/C27H27N5O4S3/c1-30-26(33)19-14-31(15-20(19)27(30)34)13-18-11-28-25(38-18)21-10-17-4-2-5-22(24(17)29-21)32(12-16-7-8-16)39(35,36)23-6-3-9-37-23/h2-6,9-11,16,19-20,29H,7-8,12-15H2,1H3
InChIKeyDWGSFIGMASMNGS-UHFFFAOYSA-N
MW581.75 g/mol
LogP4.00
Rot. Bonds8

About N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide

N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (PubChem CID 59135981) has the molecular formula C27H27N5O4S3 and a molecular weight of 581.75 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
PubChem CID59135981
Molecular FormulaC27H27N5O4S3
Molecular Weight581.75 g/mol
Exact Mass581.12
IUPAC NameN-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
SMILESCN1C(=O)C2CN(Cc3cnc(-c4cc5cccc(N(CC6CC6)S(=O)(=O)c6cccs6)c5[nH]4)s3)CC2C1=O
InChIInChI=1S/C27H27N5O4S3/c1-30-26(33)19-14-31(15-20(19)27(30)34)13-18-11-28-25(38-18)21-10-17-4-2-5-22(24(17)29-21)32(12-16-7-8-16)39(35,36)23-6-3-9-37-23/h2-6,9-11,16,19-20,29H,7-8,12-15H2,1H3
InChIKeyDWGSFIGMASMNGS-UHFFFAOYSA-N
XLogP4.00
TPSA106.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500581.75
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide with MolForge

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Related Compounds

N-[2-[5-[(4-tert-butylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-(cyclopropylmethyl)thiophene-2-sulfonamide
CID 59135888
N-(cyclopropylmethyl)-N-[2-[5-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135704
ethyl 2-[[2-[7-[cyclopropylmethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl-methylamino]acetate
CID 59135889
1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 57476070
N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 59136124
N-ethyl-N-[2-[5-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135728
ethyl 1-[[2-[7-[ethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylate
CID 59136135
N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
CID 59136133
N-ethyl-N-[2-[5-(pyrrolidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide;2,2,2-trifluoroacetic acid
CID 67487516
N-methyl-N-[2-[5-[[3-(pyrrolidine-1-carbonyl)piperidin-1-yl]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59136075
[4-[[2-[7-[methyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl]piperazin-1-yl] butanoate
CID 57476121
N-propan-2-yl-N-[2-[5-[(3-pyridin-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135996

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The IUPAC name of N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide (CID 59135981) is N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is CN1C(=O)C2CN(Cc3cnc(-c4cc5cccc(N(CC6CC6)S(=O)(=O)c6cccs6)c5[nH]4)s3)CC2C1=O.
What is the InChIKey of N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
The InChIKey is DWGSFIGMASMNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O4S3/c1-30-26(33)19-14-31(15-20(19)27(30)34)13-18-11-28-25(38-18)21-10-17-4-2-5-22(24(17)29-21)32(12-16-7-8-16)39(35,36)23-6-3-9-37-23/h2-6,9-11,16,19-20,29H,7-8,12-15H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide?
N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide has a molecular weight of 581.75 g/mol, XLogP of 4.00, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[2-[5-[(2-methyl-1,3-dioxo-3a,4,6,6a-tetrahydropyrrolo[3,4-c]pyrrol-5-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 59135981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).