N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide

C19H20N2OS — CID 31302201

IUPACN-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C19H20N2OS/c1-15(9-10-16-7-3-2-4-8-16)20-19(22)18-17(11-14-23-18)21-12-5-6-13-21/h2-8,11-15H,9-10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyRZQGEUXFRVKHIR-OAHLLOKOSA-N
MW324.45 g/mol
LogP4.29
Rot. Bonds6

About N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide

N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide (PubChem CID 31302201) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
PubChem CID31302201
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC NameN-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide
SMILESC[C@H](CCc1ccccc1)NC(=O)c1sccc1-n1cccc1
InChIInChI=1S/C19H20N2OS/c1-15(9-10-16-7-3-2-4-8-16)20-19(22)18-17(11-14-23-18)21-12-5-6-13-21/h2-8,11-15H,9-10H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyRZQGEUXFRVKHIR-OAHLLOKOSA-N
XLogP4.29
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-hydroxy-2-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]butanoic acid
CID 107822891
N-methyl-3-pyrrol-1-ylthiophene-2-carboxamide
CID 3694864
2-hydroxy-3-[(3-pyrrol-1-ylthiophene-2-carbonyl)amino]propanoic acid
CID 66168126
N-(4-phenylbutan-2-yl)thiophene-3-carboxamide
CID 78803823
N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 6933208
(2S)-2-(methylamino)-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 143330073
N-(4-phenylbutan-2-yl)-4-sulfanylthiophene-2-carboxamide
CID 107026936
N,N'-bis[(2S)-4-phenylbutan-2-yl]butanediamide
CID 7409928
4-methoxy-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 854833
4-(4-bromophenyl)-N-(4-phenylbutan-2-yl)thiadiazole-5-carboxamide
CID 133200560
N-(4-phenylbutan-2-yl)-4-sulfanylbenzamide
CID 107026940
N-(4-phenylbutan-2-yl)pyridine-4-carboxamide
CID 3246771

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The IUPAC name of N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide (CID 31302201) is N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide is C[C@H](CCc1ccccc1)NC(=O)c1sccc1-n1cccc1.
What is the InChIKey of N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide?
The InChIKey is RZQGEUXFRVKHIR-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15(9-10-16-7-3-2-4-8-16)20-19(22)18-17(11-14-23-18)21-12-5-6-13-21/h2-8,11-15H,9-10H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide?
N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide has a molecular weight of 324.45 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-4-phenylbutan-2-yl]-3-pyrrol-1-ylthiophene-2-carboxamide is sourced from PubChem (CID 31302201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).