4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide

C16H17BrClNOS — CID 58201566

IUPAC4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide
SMILESCCC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C16H17BrClNOS/c1-2-6-12(9-11-7-4-3-5-8-11)19-16(20)14-10-13(17)15(18)21-14/h3-5,7-8,10,12H,2,6,9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyIUFZYOPJXKUYFR-GFCCVEGCSA-N
MW386.74 g/mol
LogP5.31
Rot. Bonds6

About 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide

4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide (PubChem CID 58201566) has the molecular formula C16H17BrClNOS and a molecular weight of 386.74 g/mol. Its IUPAC name is 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide
PubChem CID58201566
Molecular FormulaC16H17BrClNOS
Molecular Weight386.74 g/mol
Exact Mass384.99
IUPAC Name4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide
SMILESCCC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(Cl)s1
InChIInChI=1S/C16H17BrClNOS/c1-2-6-12(9-11-7-4-3-5-8-11)19-16(20)14-10-13(17)15(18)21-14/h3-5,7-8,10,12H,2,6,9H2,1H3,(H,19,20)/t12-/m1/s1
InChIKeyIUFZYOPJXKUYFR-GFCCVEGCSA-N
XLogP5.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.74
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-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

[(2S)-2-[(4-bromo-5-chlorothiophene-2-carbonyl)amino]-3-phenylpropyl]-tert-butylcarbamic acid
CID 67066250
4-bromo-5-(2-methylpyrazol-3-yl)-N-(1-phenylpentan-2-yl)thiophene-2-carboxamide
CID 58201475
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190
tert-butyl-[2-[(4,5-dibromothiophene-2-carbonyl)amino]-3-phenylpropyl]carbamic acid
CID 67066198
5-bromo-N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 95040081
5-chloro-N-(1-hydroxy-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 55169960
4-[(2,5-dichlorothiophene-3-carbonyl)amino]-5-phenylpentanoic acid
CID 120547272
N-(1-amino-3-phenylpropan-2-yl)-5-chloro-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24993446
4-[C-(2-aminoethenyl)-N-methylcarbonimidoyl]-N-(1-amino-3-phenylpropan-2-yl)-5-chlorothiophene-2-carboxamide
CID 153236961
N-(1-chloro-3-phenylpropan-2-yl)-5-ethylthiophene-2-carboxamide
CID 114300346
2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride
CID 119772630
3-bromo-N-(1-chloro-3-phenylpropan-2-yl)thiophene-2-carboxamide
CID 114300348

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide?
The IUPAC name of 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide (CID 58201566) is 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide is CCC[C@H](Cc1ccccc1)NC(=O)c1cc(Br)c(Cl)s1.
What is the InChIKey of 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide?
The InChIKey is IUFZYOPJXKUYFR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H17BrClNOS/c1-2-6-12(9-11-7-4-3-5-8-11)19-16(20)14-10-13(17)15(18)21-14/h3-5,7-8,10,12H,2,6,9H2,1H3,(H,19,20)/t12-/m1/s1.
What are the key properties of 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide?
4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide has a molecular weight of 386.74 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-N-[(2R)-1-phenylpentan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 58201566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).