N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide

C13H18N2O2S — CID 18163646

IUPACN-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCC(=O)NC1CC1
InChIInChI=1S/C13H18N2O2S/c16-12(5-1-3-11-4-2-8-18-11)14-9-13(17)15-10-6-7-10/h2,4,8,10H,1,3,5-7,9H2,(H,14,16)(H,15,17)
InChIKeyBMNIIZAKEXRGQU-UHFFFAOYSA-N
MW266.37 g/mol
LogP1.47
Rot. Bonds7

About N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide

N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide (PubChem CID 18163646) has the molecular formula C13H18N2O2S and a molecular weight of 266.37 g/mol. Its IUPAC name is N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
PubChem CID18163646
Molecular FormulaC13H18N2O2S
Molecular Weight266.37 g/mol
Exact Mass266.11
IUPAC NameN-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
SMILESO=C(CCCc1cccs1)NCC(=O)NC1CC1
InChIInChI=1S/C13H18N2O2S/c16-12(5-1-3-11-4-2-8-18-11)14-9-13(17)15-10-6-7-10/h2,4,8,10H,1,3,5-7,9H2,(H,14,16)(H,15,17)
InChIKeyBMNIIZAKEXRGQU-UHFFFAOYSA-N
XLogP1.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(oxan-4-yl)-4-thiophen-2-ylbutanamide
CID 70313728
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
cis-(1R,3S)-3-(6-thiophen-2-ylhexanoylamino)cyclopentane-1-carboxylic acid
CID 120677312
N-(4-pyrazol-1-ylcyclohexyl)-4-thiophen-2-ylbutanamide
CID 175644633
N-(4-methylcyclohexyl)-3-thiophen-2-ylpropanamide
CID 78791745
3-(4-thiophen-2-ylbutanoylamino)cyclohexane-1-carboxylic acid
CID 63042020
N-cyclopropyl-4-[[N'-methyl-N-(2-thiophen-2-ylethyl)carbamimidoyl]amino]butanamide
CID 111348850
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 31638154
4-(cyclohexylcarbamoylamino)-N-(2-thiophen-2-ylethyl)butanamide
CID 16614679
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]cyclohexyl]-5-thiophen-2-ylpentanamide
CID 141223800
benzyl 2-(4-thiophen-2-ylbutanoylamino)acetate
CID 7980390
N-(2-hydroxy-2-methylpropyl)-4-thiophen-2-ylbutanamide
CID 65109989

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide (CID 18163646) is N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide is O=C(CCCc1cccs1)NCC(=O)NC1CC1.
What is the InChIKey of N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide?
The InChIKey is BMNIIZAKEXRGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2S/c16-12(5-1-3-11-4-2-8-18-11)14-9-13(17)15-10-6-7-10/h2,4,8,10H,1,3,5-7,9H2,(H,14,16)(H,15,17).
What are the key properties of N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide?
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide has a molecular weight of 266.37 g/mol, XLogP of 1.47, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 18163646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).