N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide

C14H21NO2S — CID 103751345

IUPACN-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1CCCC1CO
InChIInChI=1S/C14H21NO2S/c16-10-11-4-1-7-13(11)15-14(17)8-2-5-12-6-3-9-18-12/h3,6,9,11,13,16H,1-2,4-5,7-8,10H2,(H,15,17)
InChIKeyQTJBKOIFICHKQO-UHFFFAOYSA-N
MW267.39 g/mol
LogP2.35
Rot. Bonds6

About N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide

N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide (PubChem CID 103751345) has the molecular formula C14H21NO2S and a molecular weight of 267.39 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
PubChem CID103751345
Molecular FormulaC14H21NO2S
Molecular Weight267.39 g/mol
Exact Mass267.13
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NC1CCCC1CO
InChIInChI=1S/C14H21NO2S/c16-10-11-4-1-7-13(11)15-14(17)8-2-5-12-6-3-9-18-12/h3,6,9,11,13,16H,1-2,4-5,7-8,10H2,(H,15,17)
InChIKeyQTJBKOIFICHKQO-UHFFFAOYSA-N
XLogP2.35
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(chloromethyl)cyclohexyl]-4-thiophen-2-ylbutanamide
CID 106366998
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
N-(2-hydroxycyclohexyl)-3-thiophen-2-ylpropanamide
CID 55064170
1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
CID 111630265
N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
N-[2-(piperidin-1-ylmethyl)cyclohexyl]-3-thiophen-2-ylpropanamide
CID 74340203
4-(4-thiophen-2-ylbutanoylamino)oxolane-3-carboxylic acid
CID 66221199
N-(2-aminocyclopentyl)-2-thiophen-2-ylacetamide
CID 63251271
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
5-chloro-N-[2-(hydroxymethyl)cyclopentyl]pentanamide
CID 106359865
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N'-(4-thiophen-2-ylbutanoyl)oxolane-2-carbohydrazide
CID 47189286

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide (CID 103751345) is N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NC1CCCC1CO.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide?
The InChIKey is QTJBKOIFICHKQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2S/c16-10-11-4-1-7-13(11)15-14(17)8-2-5-12-6-3-9-18-12/h3,6,9,11,13,16H,1-2,4-5,7-8,10H2,(H,15,17).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide?
N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide has a molecular weight of 267.39 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 103751345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).