N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide

C18H22N2O4S — CID 3592992

IUPACN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C18H22N2O4S/c1-14-8-9-15(19-18(21)16-7-6-12-24-16)13-17(14)25(22,23)20-10-4-2-3-5-11-20/h6-9,12-13H,2-5,10-11H2,1H3,(H,19,21)
InChIKeyBGBFLCXEGBNXLJ-UHFFFAOYSA-N
MW362.45 g/mol
LogP3.41
Rot. Bonds4

About N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide (PubChem CID 3592992) has the molecular formula C18H22N2O4S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
PubChem CID3592992
Molecular FormulaC18H22N2O4S
Molecular Weight362.45 g/mol
Exact Mass362.13
IUPAC NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1
InChIInChI=1S/C18H22N2O4S/c1-14-8-9-15(19-18(21)16-7-6-12-24-16)13-17(14)25(22,23)20-10-4-2-3-5-11-20/h6-9,12-13H,2-5,10-11H2,1H3,(H,19,21)
InChIKeyBGBFLCXEGBNXLJ-UHFFFAOYSA-N
XLogP3.41
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 42938393
(3S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)piperidine-3-carboxamide
CID 32626209
(2S)-N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-1-(furan-2-carbonyl)pyrrolidine-2-carboxamide
CID 55944312
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-3,5-difluorobenzamide
CID 3602667
2-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 119943663
3-(methoxymethyl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 33181811
N-[[4-(furan-2-carbonylamino)phenyl]methyl]-5-methyl-4-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 55758769
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)furan-2-carboxamide
CID 51154323
2,5-dimethyl-N-(4-methyl-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 56921836
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 31289277

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide (CID 3592992) is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide is Cc1ccc(NC(=O)c2ccco2)cc1S(=O)(=O)N1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide?
The InChIKey is BGBFLCXEGBNXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4S/c1-14-8-9-15(19-18(21)16-7-6-12-24-16)13-17(14)25(22,23)20-10-4-2-3-5-11-20/h6-9,12-13H,2-5,10-11H2,1H3,(H,19,21).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide?
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 3592992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).