N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide

C21H26ClNOS — CID 4830873

IUPACN-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)CC1CCCC1
InChIInChI=1S/C21H26ClNOS/c1-16(13-20-7-4-12-25-20)23(15-18-8-10-19(22)11-9-18)21(24)14-17-5-2-3-6-17/h4,7-12,16-17H,2-3,5-6,13-15H2,1H3
InChIKeyYGQCTEUYOBXHFM-UHFFFAOYSA-N
MW375.97 g/mol
LogP5.94
Rot. Bonds7

About N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide

N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide (PubChem CID 4830873) has the molecular formula C21H26ClNOS and a molecular weight of 375.97 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
PubChem CID4830873
Molecular FormulaC21H26ClNOS
Molecular Weight375.97 g/mol
Exact Mass375.14
IUPAC NameN-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide
SMILESCC(Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)CC1CCCC1
InChIInChI=1S/C21H26ClNOS/c1-16(13-20-7-4-12-25-20)23(15-18-8-10-19(22)11-9-18)21(24)14-17-5-2-3-6-17/h4,7-12,16-17H,2-3,5-6,13-15H2,1H3
InChIKeyYGQCTEUYOBXHFM-UHFFFAOYSA-N
XLogP5.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.97
LogP ≤ 55.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-chlorophenyl)methyl]-3,3-dimethyl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]butanamide
CID 2370945
N-[(4-chlorophenyl)methyl]-4-propan-2-yl-N-[(2S)-1-thiophen-2-ylpropan-2-yl]benzamide
CID 2402599
N-(cyclohexylmethyl)-N'-methyl-N'-(1-thiophen-2-ylpropan-2-yl)ethane-1,2-diamine
CID 79494082
1-benzyl-3-cyclohexyl-1-[(2R)-1-thiophen-2-ylpropan-2-yl]thiourea
CID 8727561
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-phenylacetamide
CID 91802129
(2R)-2-[1,3-benzodioxol-5-ylmethyl-(2-thiophen-2-ylacetyl)amino]-2-(4-chlorophenyl)-N-cyclohexylacetamide
CID 25310583
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603
5-[(4-chlorophenyl)methyl-(1-thiophen-2-ylpropan-2-yl)sulfamoyl]-2-methylbenzamide
CID 47027380
5,6-dichloro-N-[(4-methoxyphenyl)methyl]-N-(1-thiophen-2-ylpropan-2-yl)pyridine-3-carboxamide
CID 16626042
N-[(4-methoxyphenyl)methyl]-2-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N-[(2R)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 41218785
2-(4-cyanophenoxy)-N-[(4-methoxyphenyl)methyl]-N-[(2S)-1-thiophen-2-ylpropan-2-yl]acetamide
CID 9012728
2-cyclohexyl-N-(oxan-4-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 90610659

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide (CID 4830873) is N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide is CC(Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)CC1CCCC1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
The InChIKey is YGQCTEUYOBXHFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClNOS/c1-16(13-20-7-4-12-25-20)23(15-18-8-10-19(22)11-9-18)21(24)14-17-5-2-3-6-17/h4,7-12,16-17H,2-3,5-6,13-15H2,1H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide?
N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide has a molecular weight of 375.97 g/mol, XLogP of 5.94, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-cyclopentyl-N-(1-thiophen-2-ylpropan-2-yl)acetamide is sourced from PubChem (CID 4830873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).