2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide

C21H29NO3S — CID 40506035

IUPAC2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(N(C(=O)CC2CCCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C21H29NO3S/c1-16(2)18-8-10-19(11-9-18)22(20-12-13-26(24,25)15-20)21(23)14-17-6-4-3-5-7-17/h8-13,16-17,20H,3-7,14-15H2,1-2H3/t20-/m1/s1
InChIKeyVJPXZCQNCQRWHO-HXUWFJFHSA-N
MW375.53 g/mol
LogP4.42
Rot. Bonds5

About 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide

2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 40506035) has the molecular formula C21H29NO3S and a molecular weight of 375.53 g/mol. Its IUPAC name is 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide
PubChem CID40506035
Molecular FormulaC21H29NO3S
Molecular Weight375.53 g/mol
Exact Mass375.19
IUPAC Name2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(N(C(=O)CC2CCCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C21H29NO3S/c1-16(2)18-8-10-19(11-9-18)22(20-12-13-26(24,25)15-20)21(23)14-17-6-4-3-5-7-17/h8-13,16-17,20H,3-7,14-15H2,1-2H3/t20-/m1/s1
InChIKeyVJPXZCQNCQRWHO-HXUWFJFHSA-N
XLogP4.42
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.53
LogP ≤ 54.42
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-(4-propan-2-ylphenyl)acetamide
CID 1258077
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 7486953
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-fluorophenyl)-N-(4-propan-2-ylphenyl)acetamide
CID 7486940
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)benzamide
CID 40642888
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-propan-2-ylphenyl)-2-thiophen-2-ylacetamide
CID 20881995
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2,6-difluoro-N-(4-propan-2-ylphenyl)benzamide
CID 40506086
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]propanamide
CID 40505382
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 7487211
(2S)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-phenoxy-N-(4-propan-2-ylphenyl)propanamide
CID 7486967
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3,4,5-trimethoxy-N-(4-propan-2-ylphenyl)benzamide
CID 27532616
N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide
CID 20881914
2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylacetamide
CID 8636018

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide (CID 40506035) is 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(N(C(=O)CC2CCCCC2)[C@@H]2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is VJPXZCQNCQRWHO-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H29NO3S/c1-16(2)18-8-10-19(11-9-18)22(20-12-13-26(24,25)15-20)21(23)14-17-6-4-3-5-7-17/h8-13,16-17,20H,3-7,14-15H2,1-2H3/t20-/m1/s1.
What are the key properties of 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide?
2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 375.53 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 40506035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).