N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide

C20H25NOS — CID 157468797

IUPACN-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCc1ccccc1)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C20H25NOS/c22-20(14-6-10-17-8-2-1-3-9-17)21(18-11-4-5-12-18)16-19-13-7-15-23-19/h1-3,7-9,13,15,18H,4-6,10-12,14,16H2
InChIKeyBUTYOUBOAUCDSF-UHFFFAOYSA-N
MW327.49 g/mol
LogP5.04
Rot. Bonds7

About N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide

N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 157468797) has the molecular formula C20H25NOS and a molecular weight of 327.49 g/mol. Its IUPAC name is N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound NameN-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
PubChem CID157468797
Molecular FormulaC20H25NOS
Molecular Weight327.49 g/mol
Exact Mass327.17
IUPAC NameN-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCc1ccccc1)N(Cc1cccs1)C1CCCC1
InChIInChI=1S/C20H25NOS/c22-20(14-6-10-17-8-2-1-3-9-17)21(18-11-4-5-12-18)16-19-13-7-15-23-19/h1-3,7-9,13,15,18H,4-6,10-12,14,16H2
InChIKeyBUTYOUBOAUCDSF-UHFFFAOYSA-N
XLogP5.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.49
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(oxan-4-yl)-4-phenyl-N-(2-thiophen-2-ylethyl)butanamide
CID 90611027
N-(2-chloroethyl)-N-cyclohexyl-4-thiophen-2-ylbutanamide
CID 63391703
N-(2-bromoethyl)-N-cyclopentyl-4-thiophen-2-ylbutanamide
CID 80659406
N-cyclopropyl-4-phenoxy-N-(thiophen-2-ylmethyl)butanamide
CID 134004464
N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-thiophen-2-ylbutanamide
CID 39968065
N-(2-chloroethyl)-N-cyclohexyl-4-phenylbutanamide
CID 63391462
N-cyclopropyl-4-(methylamino)-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119715445
1-cyclopentyl-1-(thiophen-2-ylmethyl)urea;hydrochloride
CID 175237620
N-cyclopentyl-N-(thiophen-2-ylmethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 159758558
N-cyclopropyl-N-[2-[(4-fluorophenyl)methyl-(thiophen-2-ylmethyl)amino]-2-oxoethyl]-3-phenylpropanamide
CID 5063733
1-cyclopentyl-3-methyl-3-phenyl-1-(thiophen-2-ylmethyl)urea
CID 150953612
N-methyl-N-piperidin-3-yl-4-thiophen-2-ylbutanamide
CID 63642993

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide (CID 157468797) is N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide is O=C(CCCc1ccccc1)N(Cc1cccs1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is BUTYOUBOAUCDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS/c22-20(14-6-10-17-8-2-1-3-9-17)21(18-11-4-5-12-18)16-19-13-7-15-23-19/h1-3,7-9,13,15,18H,4-6,10-12,14,16H2.
What are the key properties of N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide?
N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 327.49 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-phenyl-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 157468797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).