N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

C20H28N4O4S — CID 8976470

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC[C@@H]2c2cccn2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H28N4O4S/c1-22(2)29(26,27)19-13-15(9-10-18(19)28-4)21-20(25)14-24-12-6-8-17(24)16-7-5-11-23(16)3/h5,7,9-11,13,17H,6,8,12,14H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyRRJJLLXMVPMLDQ-QGZVFWFLSA-N
MW420.54 g/mol
LogP2.06
Rot. Bonds7

About N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (PubChem CID 8976470) has the molecular formula C20H28N4O4S and a molecular weight of 420.54 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
PubChem CID8976470
Molecular FormulaC20H28N4O4S
Molecular Weight420.54 g/mol
Exact Mass420.18
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2CCC[C@@H]2c2cccn2C)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C20H28N4O4S/c1-22(2)29(26,27)19-13-15(9-10-18(19)28-4)21-20(25)14-24-12-6-8-17(24)16-7-5-11-23(16)3/h5,7,9-11,13,17H,6,8,12,14H2,1-4H3,(H,21,25)/t17-/m1/s1
InChIKeyRRJJLLXMVPMLDQ-QGZVFWFLSA-N
XLogP2.06
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.54
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 41166959
N-(3-cyanophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8972880
N-(2-methoxy-5-nitrophenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973112
N-[(4-methoxyphenyl)carbamoyl]-2-[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 17434998
N-(4-ethoxyphenyl)-2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide
CID 8973188
1-[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl]-N-phenylpiperidine-4-carboxamide
CID 25494837
N,N-diethyl-4-[[2-[(2S)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetyl]amino]benzamide
CID 8974677
2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]-N-(2-methylsulfonylphenyl)acetamide
CID 8976439
1-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 119908447
1-[2-[4-chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119908446
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]cyclobutanecarboxamide
CID 8849768
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide (CID 8976470) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is COc1ccc(NC(=O)CN2CCC[C@@H]2c2cccn2C)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is RRJJLLXMVPMLDQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4O4S/c1-22(2)29(26,27)19-13-15(9-10-18(19)28-4)21-20(25)14-24-12-6-8-17(24)16-7-5-11-23(16)3/h5,7,9-11,13,17H,6,8,12,14H2,1-4H3,(H,21,25)/t17-/m1/s1.
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 420.54 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-[(2R)-2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 8976470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).