N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide

C17H23N3O3S — CID 97101295

IUPACN-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc[nH]c2C)c1
InChIInChI=1S/C17H23N3O3S/c1-4-12(2)20-24(22,23)11-14-6-5-7-15(10-14)19-17(21)16-8-9-18-13(16)3/h5-10,12,18,20H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyWNWULAWXRHTVKO-LBPRGKRZSA-N
MW349.46 g/mol
LogP2.79
Rot. Bonds7

About N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide

N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide (PubChem CID 97101295) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
PubChem CID97101295
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide
SMILESCC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc[nH]c2C)c1
InChIInChI=1S/C17H23N3O3S/c1-4-12(2)20-24(22,23)11-14-6-5-7-15(10-14)19-17(21)16-8-9-18-13(16)3/h5-10,12,18,20H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1
InChIKeyWNWULAWXRHTVKO-LBPRGKRZSA-N
XLogP2.79
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-4-chloro-2-methoxybenzamide
CID 97095744
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]cyclopentene-1-carboxamide
CID 84592111
2-[[3-(butan-2-ylsulfamoylmethyl)phenyl]carbamoyl]pyridine-4-carboxylic acid
CID 122056207
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-5-methyl-2,4-dioxo-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 166189433
N-(3-chlorophenyl)-2-methyl-1H-pyrrole-3-carboxamide
CID 110695775
N-[3-(butan-2-ylsulfamoylmethyl)phenyl]-1-[(3-fluorophenyl)methyl]triazole-4-carboxamide
CID 146123313
1-[[3-(butan-2-ylsulfamoylmethyl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122088207
N-[(2R)-butan-2-yl]-1-[3-(thian-4-ylamino)phenyl]methanesulfonamide
CID 97079815
2-(N-methylanilino)-N-[3-(methylsulfonylmethyl)phenyl]benzamide
CID 86872640
1-(3-aminophenyl)-N-[(2S)-1-hydroxypropan-2-yl]methanesulfonamide
CID 107212663
4-bromo-N-[3-(methylsulfonylmethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 51128969
4-(butan-2-ylsulfamoyl)-N-(3-hydroxyphenyl)benzamide
CID 78783239

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide (CID 97101295) is N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide is CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)c2cc[nH]c2C)c1.
What is the InChIKey of N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
The InChIKey is WNWULAWXRHTVKO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-4-12(2)20-24(22,23)11-14-6-5-7-15(10-14)19-17(21)16-8-9-18-13(16)3/h5-10,12,18,20H,4,11H2,1-3H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide?
N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide has a molecular weight of 349.46 g/mol, XLogP of 2.79, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(2S)-butan-2-yl]sulfamoylmethyl]phenyl]-2-methyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 97101295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).