4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide

C13H17BrN2O2S — CID 18163868

IUPAC4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
SMILESO=C(CCCc1ccc(Br)s1)NCC(=O)NC1CC1
InChIInChI=1S/C13H17BrN2O2S/c14-11-7-6-10(19-11)2-1-3-12(17)15-8-13(18)16-9-4-5-9/h6-7,9H,1-5,8H2,(H,15,17)(H,16,18)
InChIKeyYVKFPSUWZCOYGD-UHFFFAOYSA-N
MW345.26 g/mol
LogP2.23
Rot. Bonds7

About 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide

4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide (PubChem CID 18163868) has the molecular formula C13H17BrN2O2S and a molecular weight of 345.26 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
PubChem CID18163868
Molecular FormulaC13H17BrN2O2S
Molecular Weight345.26 g/mol
Exact Mass344.02
IUPAC Name4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
SMILESO=C(CCCc1ccc(Br)s1)NCC(=O)NC1CC1
InChIInChI=1S/C13H17BrN2O2S/c14-11-7-6-10(19-11)2-1-3-12(17)15-8-13(18)16-9-4-5-9/h6-7,9H,1-5,8H2,(H,15,17)(H,16,18)
InChIKeyYVKFPSUWZCOYGD-UHFFFAOYSA-N
XLogP2.23
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.26
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide
CID 86910139
N-[2-(cyclopropylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 18163646
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
4-(5-bromothiophen-2-yl)-N-(piperidin-3-ylmethyl)butanamide
CID 119464147
4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433779
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide
CID 119612184
4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide
CID 113492709
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 115701308
4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylbutanoic acid
CID 81063121
N-[2-(cyclopropylamino)-2-oxoethyl]-4-(3,4-dimethylphenyl)butanamide
CID 110423518
4-[4-(5-bromothiophen-2-yl)butanoylamino]cyclopent-2-ene-1-carboxylic acid
CID 79208986
4-(5-bromothiophen-2-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846274

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide (CID 18163868) is 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide is O=C(CCCc1ccc(Br)s1)NCC(=O)NC1CC1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide?
The InChIKey is YVKFPSUWZCOYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2S/c14-11-7-6-10(19-11)2-1-3-12(17)15-8-13(18)16-9-4-5-9/h6-7,9H,1-5,8H2,(H,15,17)(H,16,18).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide?
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide has a molecular weight of 345.26 g/mol, XLogP of 2.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide is sourced from PubChem (CID 18163868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).