N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

C24H29N3O4S — CID 16621317

IUPACN-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C24H29N3O4S/c28-23(13-12-19-16-18-8-3-4-11-22(18)26-24(19)29)25-20-9-7-10-21(17-20)32(30,31)27-14-5-1-2-6-15-27/h3-4,7-11,17,19H,1-2,5-6,12-16H2,(H,25,28)(H,26,29)
InChIKeyUFRCXWIBQMYYNI-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.78
Rot. Bonds6

About N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide

N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (PubChem CID 16621317) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound NameN-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
PubChem CID16621317
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC NameN-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
SMILESO=C(CCC1Cc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1
InChIInChI=1S/C24H29N3O4S/c28-23(13-12-19-16-18-8-3-4-11-22(18)26-24(19)29)25-20-9-7-10-21(17-20)32(30,31)27-14-5-1-2-6-15-27/h3-4,7-11,17,19H,1-2,5-6,12-16H2,(H,25,28)(H,26,29)
InChIKeyUFRCXWIBQMYYNI-UHFFFAOYSA-N
XLogP3.78
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615598
N-[4-(3-methylpiperidin-1-yl)sulfonylphenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 16615607
N-(3-methoxyphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537746
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(oxolan-2-yl)propanamide
CID 55604794
4-(1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 31009302
N-(3-piperidin-1-ylsulfonylphenyl)pentanamide
CID 8883555
4-amino-N-(3-piperidin-1-ylsulfonylphenyl)butanamide
CID 119262517
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250
2-bromo-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 60651214
3-(4-fluorophenyl)sulfanyl-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 9414940
3-(4-fluorophenyl)-N-(3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 30684734
2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)-N-(3-piperidin-1-ylsulfonylphenyl)acetamide
CID 8717458

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The IUPAC name of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide (CID 16621317) is N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The canonical SMILES for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is O=C(CCC1Cc2ccccc2NC1=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1.
What is the InChIKey of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
The InChIKey is UFRCXWIBQMYYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O4S/c28-23(13-12-19-16-18-8-3-4-11-22(18)26-24(19)29)25-20-9-7-10-21(17-20)32(30,31)27-14-5-1-2-6-15-27/h3-4,7-11,17,19H,1-2,5-6,12-16H2,(H,25,28)(H,26,29).
What are the key properties of N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide?
N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide has a molecular weight of 455.58 g/mol, XLogP of 3.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-ylsulfonyl)phenyl]-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 16621317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).