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

C14H19BrN2O2S — CID 86910139

IUPAC4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide
SMILESCN(CC(=O)NC1CC1)C(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C14H19BrN2O2S/c1-17(9-13(18)16-10-5-6-10)14(19)4-2-3-11-7-8-12(15)20-11/h7-8,10H,2-6,9H2,1H3,(H,16,18)
InChIKeyDKRRGAMZXZPYIL-UHFFFAOYSA-N
MW359.29 g/mol
LogP2.57
Rot. Bonds7

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

4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide (PubChem CID 86910139) has the molecular formula C14H19BrN2O2S and a molecular weight of 359.29 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide
PubChem CID86910139
Molecular FormulaC14H19BrN2O2S
Molecular Weight359.29 g/mol
Exact Mass358.04
IUPAC Name4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide
SMILESCN(CC(=O)NC1CC1)C(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C14H19BrN2O2S/c1-17(9-13(18)16-10-5-6-10)14(19)4-2-3-11-7-8-12(15)20-11/h7-8,10H,2-6,9H2,1H3,(H,16,18)
InChIKeyDKRRGAMZXZPYIL-UHFFFAOYSA-N
XLogP2.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.29
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
ethyl 2-[4-(5-bromothiophen-2-yl)butanoyl-cyclopropylamino]acetate
CID 61410554
3-(4-aminophenyl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylpropanamide
CID 61037277
2-[[2-(5-bromothiophen-2-yl)-2-oxoethyl]-methylamino]-N-cyclopropylacetamide
CID 60681800
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-2-thiophen-2-ylacetamide
CID 47013772
4-[4-(5-bromothiophen-2-yl)butanoyl-methylamino]oxolane-3-carboxylic acid
CID 66235528
N-[2-(5-bromothiophen-2-yl)ethyl]-2-hydroxy-N-methylacetamide
CID 115140158
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
N-[2-(aminomethyl)cyclohexyl]-4-(5-bromothiophen-2-yl)butanamide
CID 119612184
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-oxobutanamide
CID 43579629
5-bromo-N-methyl-N-[2-oxo-2-(pyrrolidin-3-ylamino)ethyl]thiophene-2-carboxamide;hydrochloride
CID 119450670
N-[2-(cyclopropylamino)-2-oxoethyl]-N-methyl-3-(propan-2-ylamino)propanamide
CID 54925252

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide (CID 86910139) is 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide is CN(CC(=O)NC1CC1)C(=O)CCCc1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide?
The InChIKey is DKRRGAMZXZPYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2S/c1-17(9-13(18)16-10-5-6-10)14(19)4-2-3-11-7-8-12(15)20-11/h7-8,10H,2-6,9H2,1H3,(H,16,18).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide?
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]-N-methylbutanamide has a molecular weight of 359.29 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 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]-N-methylbutanamide is sourced from PubChem (CID 86910139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).