N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide

C19H24ClNO3S — CID 20881914

IUPACN-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide
SMILESO=C(CCC1CCCCC1)N(c1cccc(Cl)c1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C19H24ClNO3S/c20-16-7-4-8-17(13-16)21(18-11-12-25(23,24)14-18)19(22)10-9-15-5-2-1-3-6-15/h4,7-8,11-13,15,18H,1-3,5-6,9-10,14H2
InChIKeyVDUAHAUMUZDKEX-UHFFFAOYSA-N
MW381.93 g/mol
LogP4.34
Rot. Bonds5

About N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide

N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide (PubChem CID 20881914) has the molecular formula C19H24ClNO3S and a molecular weight of 381.93 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide
PubChem CID20881914
Molecular FormulaC19H24ClNO3S
Molecular Weight381.93 g/mol
Exact Mass381.12
IUPAC NameN-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide
SMILESO=C(CCC1CCCCC1)N(c1cccc(Cl)c1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C19H24ClNO3S/c20-16-7-4-8-17(13-16)21(18-11-12-25(23,24)14-18)19(22)10-9-15-5-2-1-3-6-15/h4,7-8,11-13,15,18H,1-3,5-6,9-10,14H2
InChIKeyVDUAHAUMUZDKEX-UHFFFAOYSA-N
XLogP4.34
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.93
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]cyclopropanecarboxamide
CID 40505435
4-tert-butyl-N-(3-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
CID 43954685
N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-(4-methoxyphenyl)acetamide
CID 40505436
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-ethoxybenzamide
CID 40505455
N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-2-methylbenzamide
CID 40505440
N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide
CID 40505446
N-(3-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-methoxybenzamide
CID 40505453
2-cyclohexyl-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 40506035
N-(4-chlorophenyl)-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]pentanamide
CID 40505385
3-[cyclopropylmethyl(methyl)amino]-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-phenylpropanamide
CID 167758737
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylpentanamide
CID 40505612
3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide
CID 7152304

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide?
The IUPAC name of N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide (CID 20881914) is N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide?
The canonical SMILES for N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide is O=C(CCC1CCCCC1)N(c1cccc(Cl)c1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide?
The InChIKey is VDUAHAUMUZDKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClNO3S/c20-16-7-4-8-17(13-16)21(18-11-12-25(23,24)14-18)19(22)10-9-15-5-2-1-3-6-15/h4,7-8,11-13,15,18H,1-3,5-6,9-10,14H2.
What are the key properties of N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide?
N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide has a molecular weight of 381.93 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-cyclohexyl-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)propanamide is sourced from PubChem (CID 20881914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).