N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide

C16H24N2O3S — CID 26522243

IUPACN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H24N2O3S/c1-3-16(19)17-14-9-8-13(2)15(12-14)22(20,21)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyKRYNBDHOIAWQET-UHFFFAOYSA-N
MW324.45 g/mol
LogP2.91
Rot. Bonds4

About N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide (PubChem CID 26522243) has the molecular formula C16H24N2O3S and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
PubChem CID26522243
Molecular FormulaC16H24N2O3S
Molecular Weight324.45 g/mol
Exact Mass324.15
IUPAC NameN-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C16H24N2O3S/c1-3-16(19)17-14-9-8-13(2)15(12-14)22(20,21)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,19)
InChIKeyKRYNBDHOIAWQET-UHFFFAOYSA-N
XLogP2.91
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648
2-(4-ethyl-2,3-dioxopiperazin-1-yl)-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 46489260
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)propanamide
CID 26851836
2-methyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)butanamide
CID 46569060
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(2-oxoazepan-1-yl)acetamide
CID 31321213
2-[cyclohexyl(methyl)amino]-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)acetamide
CID 18078412
N-[2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-2-oxoethyl]-2-methylbenzamide
CID 24687782
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-3-pyrazol-1-ylpropanamide
CID 86979931
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-thiophen-2-ylacetamide
CID 4303625
N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)-2-(4-propylpyridin-1-ium-1-yl)acetamide
CID 8877671

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide (CID 26522243) is N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide is CCC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide?
The InChIKey is KRYNBDHOIAWQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S/c1-3-16(19)17-14-9-8-13(2)15(12-14)22(20,21)18-10-6-4-5-7-11-18/h8-9,12H,3-7,10-11H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide?
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide has a molecular weight of 324.45 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide is sourced from PubChem (CID 26522243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).