N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide

C23H24N2O2S — CID 55368199

IUPACN-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)CCCNC(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-17-11-13-19(14-12-17)22(18-7-3-2-4-8-18)25-21(26)10-5-15-24-23(27)20-9-6-16-28-20/h2-4,6-9,11-14,16,22H,5,10,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyZULNYJZYOFHCEL-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.47
Rot. Bonds8

About N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide

N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide (PubChem CID 55368199) has the molecular formula C23H24N2O2S and a molecular weight of 392.52 g/mol. Its IUPAC name is N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
PubChem CID55368199
Molecular FormulaC23H24N2O2S
Molecular Weight392.52 g/mol
Exact Mass392.16
IUPAC NameN-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
SMILESCc1ccc(C(NC(=O)CCCNC(=O)c2cccs2)c2ccccc2)cc1
InChIInChI=1S/C23H24N2O2S/c1-17-11-13-19(14-12-17)22(18-7-3-2-4-8-18)25-21(26)10-5-15-24-23(27)20-9-6-16-28-20/h2-4,6-9,11-14,16,22H,5,10,15H2,1H3,(H,24,27)(H,25,26)
InChIKeyZULNYJZYOFHCEL-UHFFFAOYSA-N
XLogP4.47
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[[(4-methylphenyl)-phenylmethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51184874
N-[4-[[(2S)-2-(dimethylamino)-2-phenylethyl]amino]-4-oxobutyl]thiophene-2-carboxamide
CID 39948346
(2S,3R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 104964883
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704
(2R)-3-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]propanoic acid
CID 80748969
N-[3-oxo-3-[[(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]propyl]thiophene-2-carboxamide
CID 18267861
(2R)-4-hydroxy-2-[4-(thiophene-2-carbonylamino)butanoylamino]butanoic acid
CID 107822711
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-[4-[1-[4-(carbamoylamino)phenyl]ethylamino]-4-oxobutyl]thiophene-2-carboxamide
CID 55703070
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 103782548
N-[(4-methylphenyl)-phenylmethyl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24596245

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide (CID 55368199) is N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide is Cc1ccc(C(NC(=O)CCCNC(=O)c2cccs2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
The InChIKey is ZULNYJZYOFHCEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2S/c1-17-11-13-19(14-12-17)22(18-7-3-2-4-8-18)25-21(26)10-5-15-24-23(27)20-9-6-16-28-20/h2-4,6-9,11-14,16,22H,5,10,15H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide?
N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide has a molecular weight of 392.52 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-methylphenyl)-phenylmethyl]amino]-4-oxobutyl]thiophene-2-carboxamide is sourced from PubChem (CID 55368199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).