5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C13H17BrN2O3S — CID 97061648

IUPAC5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(CCO)C1CC1
InChIInChI=1S/C13H17BrN2O3S/c1-8(13(19)16(6-7-17)9-2-3-9)15-12(18)10-4-5-11(14)20-10/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,15,18)/t8-/m0/s1
InChIKeyABCYQIHAWFHBIW-QMMMGPOBSA-N
MW361.26 g/mol
LogP1.61
Rot. Bonds6

About 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide

5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 97061648) has the molecular formula C13H17BrN2O3S and a molecular weight of 361.26 g/mol. Its IUPAC name is 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID97061648
Molecular FormulaC13H17BrN2O3S
Molecular Weight361.26 g/mol
Exact Mass360.01
IUPAC Name5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(CCO)C1CC1
InChIInChI=1S/C13H17BrN2O3S/c1-8(13(19)16(6-7-17)9-2-3-9)15-12(18)10-4-5-11(14)20-10/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,15,18)/t8-/m0/s1
InChIKeyABCYQIHAWFHBIW-QMMMGPOBSA-N
XLogP1.61
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.26
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-N-[1-[(1-cyclopropyl-3-hydroxypropyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 71847164
5-bromo-N-(3-oxobutan-2-yl)thiophene-2-carboxamide
CID 64997082
5-bromo-N-[1-[methyl(4-methylpentan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55830189
N-[1-[(1-amino-2-cyclopropylpropan-2-yl)amino]-1-oxopropan-2-yl]-5-bromothiophene-2-carboxamide
CID 119575303
2-acetamido-N-cyclobutyl-N-(2-hydroxyethyl)propanamide
CID 102684935
5-bromo-N-[1-oxo-1-(piperidin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119463754
5-bromo-N-[1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55826474
5-bromo-N-[1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 111561729
5-bromo-N-(1-hydroxy-4-methylpentan-2-yl)thiophene-2-carboxamide
CID 61247480
5-bromo-N-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 94193223
5-bromo-N-[1-[1-(3-chlorophenyl)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55830507
5-bromo-N-[1-[3-(2-methylpropoxy)propylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 55865383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 97061648) is 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@H](NC(=O)c1ccc(Br)s1)C(=O)N(CCO)C1CC1.
What is the InChIKey of 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is ABCYQIHAWFHBIW-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H17BrN2O3S/c1-8(13(19)16(6-7-17)9-2-3-9)15-12(18)10-4-5-11(14)20-10/h4-5,8-9,17H,2-3,6-7H2,1H3,(H,15,18)/t8-/m0/s1.
What are the key properties of 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 361.26 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(2S)-1-[cyclopropyl(2-hydroxyethyl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 97061648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).