N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide

C21H24N2O4S — CID 42569369

IUPACN-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H24N2O4S/c1-13(2)23-16(5)15(4)19(20(23)22-21(24)18-7-6-12-27-18)28(25,26)17-10-8-14(3)9-11-17/h6-13H,1-5H3,(H,22,24)
InChIKeySYASHAWXWNEJJH-UHFFFAOYSA-N
MW400.50 g/mol
LogP4.67
Rot. Bonds5

About N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide

N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide (PubChem CID 42569369) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide
PubChem CID42569369
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC NameN-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide
SMILESCc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccco2)cc1
InChIInChI=1S/C21H24N2O4S/c1-13(2)23-16(5)15(4)19(20(23)22-21(24)18-7-6-12-27-18)28(25,26)17-10-8-14(3)9-11-17/h6-13H,1-5H3,(H,22,24)
InChIKeySYASHAWXWNEJJH-UHFFFAOYSA-N
XLogP4.67
TPSA81.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]butanamide
CID 42534788
N-[3-(4-methylphenyl)sulfonyl-1-[(1S)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
CID 987567
N-[3-(4-fluorophenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]acetamide
CID 42569351
N-[3-(4-methoxyphenyl)sulfonyl-4,5-dimethyl-1-propan-2-ylpyrrol-2-yl]cyclopropanecarboxamide
CID 42535133
N-[2-methyl-4-(4-methylphenyl)-1,3-thiazol-5-yl]furan-2-carboxamide
CID 154810998
N-[3-(4-chlorophenyl)-4-oxo-1-propan-2-ylquinolin-2-yl]furan-2-carboxamide
CID 16957135
5-bromo-N-[3-(4-methylphenyl)sulfonyl-1-[(1R)-1-phenylethyl]pyrrolo[3,2-b]quinoxalin-2-yl]furan-2-carboxamide
CID 98308976
N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]furan-2-carboxamide
CID 648040
N-[4-(dimethylsulfamoyl)phenyl]furan-2-carboxamide
CID 2672857
N-[4-(4-nitrophenyl)sulfonylphenyl]furan-2-carboxamide
CID 26199992
N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide
CID 34360301
N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]furan-2-carboxamide
CID 169372341

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide (CID 42569369) is N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide is Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccco2)cc1.
What is the InChIKey of N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide?
The InChIKey is SYASHAWXWNEJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c1-13(2)23-16(5)15(4)19(20(23)22-21(24)18-7-6-12-27-18)28(25,26)17-10-8-14(3)9-11-17/h6-13H,1-5H3,(H,22,24).
What are the key properties of N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide?
N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide has a molecular weight of 400.50 g/mol, XLogP of 4.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethyl-3-(4-methylphenyl)sulfonyl-1-propan-2-ylpyrrol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42569369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).