methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide

C27H31N5O2S3 — CID 162024047

IUPACmethane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
SMILESC.CC(C)N(c1cccc2cc(-c3ncc(CN(C)Cc4cccnc4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C26H27N5O2S3.CH4/c1-18(2)31(36(32,33)24-10-6-12-34-24)23-9-4-8-20-13-22(29-25(20)23)26-28-15-21(35-26)17-30(3)16-19-7-5-11-27-14-19;/h4-15,18,29H,16-17H2,1-3H3;1H4
InChIKeyYVCZNZDIRQMRCH-UHFFFAOYSA-N
MW553.78 g/mol
LogP6.62
Rot. Bonds9

About methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide

methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide (PubChem CID 162024047) has the molecular formula C27H31N5O2S3 and a molecular weight of 553.78 g/mol. Its IUPAC name is methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide.

Molecular Properties

Compound Namemethane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
PubChem CID162024047
Molecular FormulaC27H31N5O2S3
Molecular Weight553.78 g/mol
Exact Mass553.16
IUPAC Namemethane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
SMILESC.CC(C)N(c1cccc2cc(-c3ncc(CN(C)Cc4cccnc4)s3)[nH]c12)S(=O)(=O)c1cccs1
InChIInChI=1S/C26H27N5O2S3.CH4/c1-18(2)31(36(32,33)24-10-6-12-34-24)23-9-4-8-20-13-22(29-25(20)23)26-28-15-21(35-26)17-30(3)16-19-7-5-11-27-14-19;/h4-15,18,29H,16-17H2,1-3H3;1H4
InChIKeyYVCZNZDIRQMRCH-UHFFFAOYSA-N
XLogP6.62
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.78
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide with MolForge

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Related Compounds

N-methyl-N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide;bis(2,2,2-trifluoroacetic acid)
CID 87461079
N-[2-[5-(piperidin-1-ylmethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide
CID 59136133
methane;N-propan-2-yl-N-[2-[5-[(4-pyrazin-2-yloxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 159081809
N-(2-ethoxyethyl)-N-[2-[5-[[methyl(2-methylsulfonylethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]thiophene-2-sulfonamide
CID 59135880
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
ethyl 2-[[2-[7-[cyclopropylmethyl(thiophen-2-ylsulfonyl)amino]-1H-indol-2-yl]-1,3-thiazol-5-yl]methyl-methylamino]acetate
CID 59135889
N-[2-[5-[(4-hydroxypiperidin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-methylthiophene-2-sulfonamide
CID 59136124
N-[2-[5-[(4-acetylpiperazin-1-yl)methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-(1-ethoxyethyl)thiophene-2-sulfonamide
CID 67487249
N-[1-[2-[5-(chloromethyl)-1,3-thiazol-2-yl]-1H-indol-7-yl]ethyl]thiophene-2-sulfonamide
CID 68667159
N-methyl-2-[5-(methylsulfonylmethyl)-1,3-thiazol-2-yl]-N-thiophen-2-ylsulfanyl-1H-indol-7-amine
CID 126635143
[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-(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

Frequently Asked Questions

What is the IUPAC name of methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide?
The IUPAC name of methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide (CID 162024047) is methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide.
What is the SMILES notation for methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide?
The canonical SMILES for methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide is C.CC(C)N(c1cccc2cc(-c3ncc(CN(C)Cc4cccnc4)s3)[nH]c12)S(=O)(=O)c1cccs1.
What is the InChIKey of methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide?
The InChIKey is YVCZNZDIRQMRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2S3.CH4/c1-18(2)31(36(32,33)24-10-6-12-34-24)23-9-4-8-20-13-22(29-25(20)23)26-28-15-21(35-26)17-30(3)16-19-7-5-11-27-14-19;/h4-15,18,29H,16-17H2,1-3H3;1H4.
What are the key properties of methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide?
methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide has a molecular weight of 553.78 g/mol, XLogP of 6.62, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methane;N-[2-[5-[[methyl(pyridin-3-ylmethyl)amino]methyl]-1,3-thiazol-2-yl]-1H-indol-7-yl]-N-propan-2-ylthiophene-2-sulfonamide is sourced from PubChem (CID 162024047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).