N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

C29H33N5O3S — CID 168940511

IUPACN-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N(C)Cc4ccncc4)ccc3N3CCCC3)[nH]c2c1
InChIInChI=1S/C29H33N5O3S/c1-21-6-7-23-17-27(31-26(23)16-21)25-18-24(8-9-28(25)34-14-4-5-15-34)38(36,37)33(3)20-29(35)32(2)19-22-10-12-30-13-11-22/h6-13,16-18,31H,4-5,14-15,19-20H2,1-3H3
InChIKeyVICOVYUNEXLWCH-UHFFFAOYSA-N
MW531.68 g/mol
LogP4.42
Rot. Bonds8

About N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide

N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 168940511) has the molecular formula C29H33N5O3S and a molecular weight of 531.68 g/mol. Its IUPAC name is N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
PubChem CID168940511
Molecular FormulaC29H33N5O3S
Molecular Weight531.68 g/mol
Exact Mass531.23
IUPAC NameN-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide
SMILESCc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N(C)Cc4ccncc4)ccc3N3CCCC3)[nH]c2c1
InChIInChI=1S/C29H33N5O3S/c1-21-6-7-23-17-27(31-26(23)16-21)25-18-24(8-9-28(25)34-14-4-5-15-34)38(36,37)33(3)20-29(35)32(2)19-22-10-12-30-13-11-22/h6-13,16-18,31H,4-5,14-15,19-20H2,1-3H3
InChIKeyVICOVYUNEXLWCH-UHFFFAOYSA-N
XLogP4.42
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.68
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-(6-methyl-1H-indol-2-yl)-N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940909
N-methyl-3-(6-methyl-1H-indol-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940217
N-[2-[(2S)-2-(hydroxymethyl)morpholin-4-yl]-2-oxoethyl]-N-methyl-3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940887
ethane;3-(1H-indol-2-yl)-N,N-dimethyl-4-pyrrolidin-1-ylbenzenesulfonamide;molecular hydrogen
CID 168940317
N-methyl-3-(6-methyl-1H-indol-2-yl)-N-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-2-oxoethyl]-4-pyrrolidin-1-ylbenzenesulfinamide
CID 168940550
N-methyl-2-[methyl(pyridin-3-ylsulfonyl)amino]-N-(pyridin-4-ylmethyl)acetamide
CID 55683377
2-[methyl-[3-[6-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]indol-2-yl]-4-pyrrolidin-1-ylphenyl]sulfonylamino]acetic acid
CID 168941225
3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940994
imino-[3-(6-methoxy-1H-pyrrolo[3,2-c]pyridin-2-yl)-4-pyrrolidin-1-ylphenyl]-methyl-oxo-λ6-sulfane
CID 176573892
3-(1H-indol-2-yl)-N-methyl-4-(3-methylsulfonylpyrrolidin-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168940223
4-[(3S)-3-hydroxypyrrolidin-1-yl]-N-methyl-3-(6-methyl-1H-pyrrolo[3,2-b]pyridin-2-yl)-N-(2-morpholin-4-yl-2-oxoethyl)benzenesulfonamide
CID 168941222
N-methyl-2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-[(4-methylsulfanylphenyl)methyl]acetamide
CID 134028890

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide (CID 168940511) is N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is Cc1ccc2cc(-c3cc(S(=O)(=O)N(C)CC(=O)N(C)Cc4ccncc4)ccc3N3CCCC3)[nH]c2c1.
What is the InChIKey of N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is VICOVYUNEXLWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O3S/c1-21-6-7-23-17-27(31-26(23)16-21)25-18-24(8-9-28(25)34-14-4-5-15-34)38(36,37)33(3)20-29(35)32(2)19-22-10-12-30-13-11-22/h6-13,16-18,31H,4-5,14-15,19-20H2,1-3H3.
What are the key properties of N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide?
N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 531.68 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[3-(6-methyl-1H-indol-2-yl)-4-pyrrolidin-1-ylphenyl]sulfonylamino]-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 168940511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).