N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide

C15H18ClNO3S — CID 40505385

IUPACN-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
SMILESCCCCC(=O)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C15H18ClNO3S/c1-2-3-4-15(18)17(13-7-5-12(16)6-8-13)14-9-10-21(19,20)11-14/h5-10,14H,2-4,11H2,1H3/t14-/m1/s1
InChIKeyYRCXVYMPFFQAKF-CQSZACIVSA-N
MW327.83 g/mol
LogP3.17
Rot. Bonds5

About N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide

N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide (PubChem CID 40505385) has the molecular formula C15H18ClNO3S and a molecular weight of 327.83 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
PubChem CID40505385
Molecular FormulaC15H18ClNO3S
Molecular Weight327.83 g/mol
Exact Mass327.07
IUPAC NameN-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
SMILESCCCCC(=O)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C15H18ClNO3S/c1-2-3-4-15(18)17(13-7-5-12(16)6-8-13)14-9-10-21(19,20)11-14/h5-10,14H,2-4,11H2,1H3/t14-/m1/s1
InChIKeyYRCXVYMPFFQAKF-CQSZACIVSA-N
XLogP3.17
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.83
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylpentanamide
CID 40505612
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 40505382
N-(3,5-dimethylphenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
CID 40506122
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-methylbenzamide
CID 43954658
N-(3,4-dimethylphenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]butanamide
CID 40505669
2-(4-chlorophenoxy)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-methoxyphenyl)acetamide
CID 16798429
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-ethoxybenzamide
CID 40505378
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-3,4-dimethylbenzamide
CID 2981379
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
CID 6619989
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 7486953
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylacetamide
CID 8636018
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)thiophene-2-carboxamide
CID 2982560

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide?
The IUPAC name of N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide (CID 40505385) is N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide?
The canonical SMILES for N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide is CCCCC(=O)N(c1ccc(Cl)cc1)[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide?
The InChIKey is YRCXVYMPFFQAKF-CQSZACIVSA-N. The full InChI is InChI=1S/C15H18ClNO3S/c1-2-3-4-15(18)17(13-7-5-12(16)6-8-13)14-9-10-21(19,20)11-14/h5-10,14H,2-4,11H2,1H3/t14-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide?
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide has a molecular weight of 327.83 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide is sourced from PubChem (CID 40505385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).