N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide

C19H28N2O4S — CID 55604794

IUPACN-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H28N2O4S/c22-19(11-10-17-8-6-14-25-17)20-16-7-5-9-18(15-16)26(23,24)21-12-3-1-2-4-13-21/h5,7,9,15,17H,1-4,6,8,10-14H2,(H,20,22)
InChIKeyRDCOZQTXAPYMHJ-UHFFFAOYSA-N
MW380.51 g/mol
LogP3.15
Rot. Bonds6

About N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide

N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide (PubChem CID 55604794) has the molecular formula C19H28N2O4S and a molecular weight of 380.51 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
PubChem CID55604794
Molecular FormulaC19H28N2O4S
Molecular Weight380.51 g/mol
Exact Mass380.18
IUPAC NameN-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
SMILESO=C(CCC1CCCO1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C19H28N2O4S/c22-19(11-10-17-8-6-14-25-17)20-16-7-5-9-18(15-16)26(23,24)21-12-3-1-2-4-13-21/h5,7,9,15,17H,1-4,6,8,10-14H2,(H,20,22)
InChIKeyRDCOZQTXAPYMHJ-UHFFFAOYSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.51
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(oxolan-2-ylmethoxy)-N-(3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 4314126
2-[[(2S)-oxolan-2-yl]methylsulfanyl]-N-(3-piperidin-1-ylsulfonylphenyl)benzamide
CID 40986092
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(oxolan-2-yl)propanamide
CID 55605086
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
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2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
N-[4-oxo-4-(3-piperidin-1-ylsulfonylanilino)butyl]benzamide
CID 31009310
2-(cyclopropylmethylamino)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide;hydrochloride
CID 119672230
2-(cyclooctylamino)-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 9265434
N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-(oxolan-2-yl)propanamide
CID 55605507
N-[4-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-ylmethoxy)propanamide
CID 55754467
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide (CID 55604794) is N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide is O=C(CCC1CCCO1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide?
The InChIKey is RDCOZQTXAPYMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O4S/c22-19(11-10-17-8-6-14-25-17)20-16-7-5-9-18(15-16)26(23,24)21-12-3-1-2-4-13-21/h5,7,9,15,17H,1-4,6,8,10-14H2,(H,20,22).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide?
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide has a molecular weight of 380.51 g/mol, XLogP of 3.15, 6 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)phenyl]-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 55604794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).