N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

C24H26N2O3S — CID 86970217

IUPACN-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)C(=O)NCc1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17-5-3-6-20(15-17)19-10-8-18(9-11-19)16-25-23(27)21(12-14-30-2)26-24(28)22-7-4-13-29-22/h3-11,13,15,21H,12,14,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRCRMDNKCVHWPTA-UHFFFAOYSA-N
MW422.55 g/mol
LogP4.42
Rot. Bonds9

About N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide

N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (PubChem CID 86970217) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
PubChem CID86970217
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
SMILESCSCCC(NC(=O)c1ccco1)C(=O)NCc1ccc(-c2cccc(C)c2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17-5-3-6-20(15-17)19-10-8-18(9-11-19)16-25-23(27)21(12-14-30-2)26-24(28)22-7-4-13-29-22/h3-11,13,15,21H,12,14,16H2,1-2H3,(H,25,27)(H,26,28)
InChIKeyRCRMDNKCVHWPTA-UHFFFAOYSA-N
XLogP4.42
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

N-[(2S)-4-methylsulfanyl-1-oxo-1-[[(2R)-2-phenylpropyl]amino]butan-2-yl]furan-2-carboxamide
CID 31116257
N-[(2S)-1-[2-(4-chlorophenyl)ethylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 7872328
2-methyl-N-[(2R)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 2540868
2-methyl-N-[(2S)-1-[(4-methylphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 2540870
N-[4-methylsulfanyl-1-[(6-morpholin-4-yl-3-pyridinyl)methylamino]-1-oxobutan-2-yl]furan-2-carboxamide
CID 16602336
N-[1-[(3-methoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 55339372
N-[1-[[2-(diethylamino)-3-phenylpropyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 43067597
N-[(2S)-1-[(3,4-dimethoxyphenyl)methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 8833312
N-[4-methylsulfanyl-1-oxo-1-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]furan-2-carboxamide
CID 17459688
N-[(2S)-1-[[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 38769946
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 51938735
N-[(2R)-4-methylsulfanyl-1-oxo-1-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)anilino]butan-2-yl]furan-2-carboxamide
CID 26554932

Frequently Asked Questions

What is the IUPAC name of N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide (CID 86970217) is N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is CSCCC(NC(=O)c1ccco1)C(=O)NCc1ccc(-c2cccc(C)c2)cc1.
What is the InChIKey of N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
The InChIKey is RCRMDNKCVHWPTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17-5-3-6-20(15-17)19-10-8-18(9-11-19)16-25-23(27)21(12-14-30-2)26-24(28)22-7-4-13-29-22/h3-11,13,15,21H,12,14,16H2,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide?
N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide has a molecular weight of 422.55 g/mol, XLogP of 4.42, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[4-(3-methylphenyl)phenyl]methylamino]-4-methylsulfanyl-1-oxobutan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 86970217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).