N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

C25H27N3O3S — CID 55847538

IUPACN-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1
InChIInChI=1S/C25H27N3O3S/c1-2-7-23(29)27-20-13-11-19(12-14-20)17-26-24(30)21(16-18-8-4-3-5-9-18)28-25(31)22-10-6-15-32-22/h3-6,8-15,21H,2,7,16-17H2,1H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyUQYWDMUTGQJEER-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.14
Rot. Bonds10

About N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide

N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (PubChem CID 55847538) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
PubChem CID55847538
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
SMILESCCCC(=O)Nc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1
InChIInChI=1S/C25H27N3O3S/c1-2-7-23(29)27-20-13-11-19(12-14-20)17-26-24(30)21(16-18-8-4-3-5-9-18)28-25(31)22-10-6-15-32-22/h3-6,8-15,21H,2,7,16-17H2,1H3,(H,26,30)(H,27,29)(H,28,31)
InChIKeyUQYWDMUTGQJEER-UHFFFAOYSA-N
XLogP4.14
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[[3-(butanoylamino)phenyl]methylamino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 60515010
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CID 119507944
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide;hydrochloride
CID 119629092
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N-[1-oxo-3-phenyl-1-[4-(pyrazol-1-ylmethyl)anilino]propan-2-yl]thiophene-2-carboxamide
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CID 110878206
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CID 32933462
N-[1-[1-(4-ethylphenyl)ethylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 112762250
N-[(2S)-1-oxo-3-phenyl-1-(3,4,5-trimethoxyanilino)propan-2-yl]thiophene-2-carboxamide
CID 36670866
N-[1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]hexanamide
CID 42706052
N-[1-[(2,5-dimethoxyphenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide (CID 55847538) is N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is CCCC(=O)Nc1ccc(CNC(=O)C(Cc2ccccc2)NC(=O)c2cccs2)cc1.
What is the InChIKey of N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
The InChIKey is UQYWDMUTGQJEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-2-7-23(29)27-20-13-11-19(12-14-20)17-26-24(30)21(16-18-8-4-3-5-9-18)28-25(31)22-10-6-15-32-22/h3-6,8-15,21H,2,7,16-17H2,1H3,(H,26,30)(H,27,29)(H,28,31).
What are the key properties of N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide?
N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide has a molecular weight of 449.58 g/mol, XLogP of 4.14, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(butanoylamino)phenyl]methylamino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 55847538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).