2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide

C22H22N2O3S — CID 1317708

IUPAC2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C22H22N2O3S/c1-16(28-15-17-8-3-2-4-9-17)21(25)24-20-12-6-5-11-19(20)22(26)23-14-18-10-7-13-27-18/h2-13,16H,14-15H2,1H3,(H,23,26)(H,24,25)/t16-/m1/s1
InChIKeyRCZPLGWALMWTIQ-MRXNPFEDSA-N
MW394.50 g/mol
LogP4.47
Rot. Bonds8

About 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide

2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide (PubChem CID 1317708) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
PubChem CID1317708
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
SMILESC[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1
InChIInChI=1S/C22H22N2O3S/c1-16(28-15-17-8-3-2-4-9-17)21(25)24-20-12-6-5-11-19(20)22(26)23-14-18-10-7-13-27-18/h2-13,16H,14-15H2,1H3,(H,23,26)(H,24,25)/t16-/m1/s1
InChIKeyRCZPLGWALMWTIQ-MRXNPFEDSA-N
XLogP4.47
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-benzylsulfanylpropanoylamino)-N-propan-2-ylbenzamide
CID 55778353
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-(2-methoxyethyl)benzamide
CID 2211958
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]benzoic acid
CID 9349511
2-[[(2S)-2-(3,4-dimethoxyphenyl)sulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide
CID 28565056
N-(furan-2-ylmethyl)-2-[2-(4-propan-2-ylpiperazin-1-yl)propanoylamino]benzamide
CID 86928259
N-(furan-2-ylmethyl)-2-[2-[methyl(3-methylbutyl)amino]propanoylamino]benzamide
CID 87018409
N-(2-aminophenyl)-2-(furan-2-ylmethylsulfanyl)propanamide
CID 43125023
N,N'-bis[2-(furan-2-ylmethylcarbamoyl)phenyl]hexanediamide
CID 4938791
N-(furan-2-ylmethyl)-2-(heptanoylamino)benzamide
CID 36859009
2-[2-(2-chlorophenoxy)propanoylamino]-N-(furan-2-ylmethyl)benzamide
CID 4932109
2-[(2-bromoacetyl)amino]-N-(furan-2-ylmethyl)benzamide
CID 112547104
2-[[(2S)-2-benzylsulfanylpropanoyl]amino]-N-cyclohexylbenzamide
CID 7276350

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The IUPAC name of 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide (CID 1317708) is 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide.
What is the SMILES notation for 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The canonical SMILES for 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide is C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1.
What is the InChIKey of 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide?
The InChIKey is RCZPLGWALMWTIQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-16(28-15-17-8-3-2-4-9-17)21(25)24-20-12-6-5-11-19(20)22(26)23-14-18-10-7-13-27-18/h2-13,16H,14-15H2,1H3,(H,23,26)(H,24,25)/t16-/m1/s1.
What are the key properties of 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide?
2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 394.50 g/mol, XLogP of 4.47, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-benzylsulfanylpropanoyl]amino]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 1317708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).