2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide

C18H26N2O4S — CID 94151205

IUPAC2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCCCNC2=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)13-7-9-14(10-8-13)25(23,24)12-16(21)20-15-6-4-5-11-19-17(15)22/h7-10,15H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKeyZCZFHNFJTSRPSH-OAHLLOKOSA-N
MW366.48 g/mol
LogP1.54
Rot. Bonds4

About 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide

2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide (PubChem CID 94151205) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide
PubChem CID94151205
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC Name2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCCCNC2=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-18(2,3)13-7-9-14(10-8-13)25(23,24)12-16(21)20-15-6-4-5-11-19-17(15)22/h7-10,15H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1
InChIKeyZCZFHNFJTSRPSH-OAHLLOKOSA-N
XLogP1.54
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-oxoazepan-3-yl)-4-(trifluoromethylsulfonyl)benzamide
CID 55809279
2-[(2-fluorophenyl)methylsulfonyl]-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 51946918
2-[(2-fluorophenyl)methylsulfonyl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 51946917
2-[(1R)-1-(2,6-difluorophenyl)ethyl]sulfonyl-N-[(3S)-2-oxoazepan-3-yl]acetamide
CID 95047272
2-[methyl(methylsulfonyl)amino]-N-(2-oxoazepan-3-yl)acetamide
CID 51079705
2-(tert-butylamino)-N-(2-oxopiperidin-3-yl)acetamide
CID 49495846
(Z)-N-(2-oxoazepan-3-yl)pent-3-enamide
CID 143446170
2,2-dimethyl-N-[(3S)-2-oxoazepan-3-yl]butanamide
CID 11322108
5-[[(4-tert-butylphenyl)methyl-propan-2-ylamino]methyl]-N-(2-oxoazepan-3-yl)furan-2-carboxamide
CID 4029835
3-(4-methylphenyl)-N-(2-oxoazepan-3-yl)propanamide
CID 47031035
4-oxo-4-[[(3S)-2-oxoazepan-3-yl]amino]butanoic acid
CID 6930772
N-[(3S)-2-oxoazepan-3-yl]-2-[[(2R)-oxolan-2-yl]methylsulfonyl]acetamide
CID 95126849

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The IUPAC name of 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide (CID 94151205) is 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide.
What is the SMILES notation for 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The canonical SMILES for 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide is CC(C)(C)c1ccc(S(=O)(=O)CC(=O)N[C@@H]2CCCCNC2=O)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide?
The InChIKey is ZCZFHNFJTSRPSH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-18(2,3)13-7-9-14(10-8-13)25(23,24)12-16(21)20-15-6-4-5-11-19-17(15)22/h7-10,15H,4-6,11-12H2,1-3H3,(H,19,22)(H,20,21)/t15-/m1/s1.
What are the key properties of 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide?
2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide has a molecular weight of 366.48 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)sulfonyl-N-[(3R)-2-oxoazepan-3-yl]acetamide is sourced from PubChem (CID 94151205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).