N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide

C22H24N4O3S2 — CID 164625393

IUPACN-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1cnc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1
InChIInChI=1S/C22H24N4O3S2/c1-31(28,29)25-12-11-23-14-17-15-24-21(30-17)22(27)26-13-10-19-18(8-5-9-20(19)26)16-6-3-2-4-7-16/h2-9,15,23,25H,10-14H2,1H3
InChIKeyGWRBJGHYJFJBQI-UHFFFAOYSA-N
MW456.59 g/mol
LogP2.65
Rot. Bonds8

About N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide

N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide (PubChem CID 164625393) has the molecular formula C22H24N4O3S2 and a molecular weight of 456.59 g/mol. Its IUPAC name is N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide
PubChem CID164625393
Molecular FormulaC22H24N4O3S2
Molecular Weight456.59 g/mol
Exact Mass456.13
IUPAC NameN-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide
SMILESCS(=O)(=O)NCCNCc1cnc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1
InChIInChI=1S/C22H24N4O3S2/c1-31(28,29)25-12-11-23-14-17-15-24-21(30-17)22(27)26-13-10-19-18(8-5-9-20(19)26)16-6-3-2-4-7-16/h2-9,15,23,25H,10-14H2,1H3
InChIKeyGWRBJGHYJFJBQI-UHFFFAOYSA-N
XLogP2.65
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.59
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[5-(hydroxymethyl)-1,3-thiazol-2-yl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 168875760
[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-(4-quinoxalin-6-yl-2,3-dihydroindol-1-yl)methanone
CID 164628013
[5-[(2-hydroxyethylamino)methyl]-1,3-thiazol-2-yl]-[4-(1-methylindazol-4-yl)-2,3-dihydroindol-1-yl]methanone
CID 164628186
(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]pyrrolidine-2-carboxylic acid
CID 164610615
(2S)-1-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methyl]piperidine-2-carboxylic acid
CID 164610990
N-[2-[[2-methyl-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethyl]acetamide
CID 162676079
2-[[2-methoxy-4-(4-phenyl-2,3-dihydroindole-1-carbonyl)phenyl]methylamino]ethanesulfonamide
CID 175168661
2-(1-benzoyl-2,3-dihydroindol-4-yl)-N-methylsulfonylacetamide
CID 58765450
formaldehyde;[5-(1-methylpyrrolidin-2-yl)-2-pyridinyl]-(4-phenyl-2,3-dihydroindol-1-yl)methanone
CID 174951515
2-(4-bromo-2,3-dihydroindole-1-carbonyl)-1,3-thiazole-5-carbaldehyde
CID 175219052
N-[2-[[5-(2-bromophenyl)thiophen-2-yl]methylamino]ethyl]methanesulfonamide
CID 49463628
(5S)-5-(4-phenyl-2,3-dihydroindole-1-carbonyl)pyrrolidin-2-one
CID 129398640

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide?
The IUPAC name of N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide (CID 164625393) is N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide.
What is the SMILES notation for N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide?
The canonical SMILES for N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide is CS(=O)(=O)NCCNCc1cnc(C(=O)N2CCc3c(-c4ccccc4)cccc32)s1.
What is the InChIKey of N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide?
The InChIKey is GWRBJGHYJFJBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S2/c1-31(28,29)25-12-11-23-14-17-15-24-21(30-17)22(27)26-13-10-19-18(8-5-9-20(19)26)16-6-3-2-4-7-16/h2-9,15,23,25H,10-14H2,1H3.
What are the key properties of N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide?
N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide has a molecular weight of 456.59 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(4-phenyl-2,3-dihydroindole-1-carbonyl)-1,3-thiazol-5-yl]methylamino]ethyl]methanesulfonamide is sourced from PubChem (CID 164625393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).