N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide

C18H20N2O2S — CID 895128

IUPACN-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-2-8-17(21)19-15-11-6-7-12-16(15)20-18(22)13-23-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyQDSBCPSQQQTWLW-UHFFFAOYSA-N
MW328.44 g/mol
LogP4.16
Rot. Bonds7

About N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide

N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide (PubChem CID 895128) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide.

Molecular Properties

Compound NameN-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
PubChem CID895128
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide
SMILESCCCC(=O)Nc1ccccc1NC(=O)CSc1ccccc1
InChIInChI=1S/C18H20N2O2S/c1-2-8-17(21)19-15-11-6-7-12-16(15)20-18(22)13-23-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3,(H,19,21)(H,20,22)
InChIKeyQDSBCPSQQQTWLW-UHFFFAOYSA-N
XLogP4.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]butanamide
CID 974708
N-(2-hydroxyphenyl)-2-phenylsulfanylacetamide
CID 893908
N-[3-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]butanamide
CID 18901579
N-[3-[2-(2,3-dichloroanilino)-2-oxoethyl]sulfanylphenyl]butanamide
CID 18901591
ethane;N-(2-hydroxyphenyl)butanamide
CID 142538893
2-phenylsulfanyl-N-(2-sulfamoylphenyl)acetamide
CID 78992086
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]furan-2-carboxamide
CID 2993149
2-phenylsulfanyl-N-(2-prop-2-enylphenyl)acetamide
CID 15268776
N-(2-hydroxy-4-methylphenyl)-2-phenylsulfanylacetamide
CID 6460145
2-phenylsulfanyl-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 38749928
N-(2-butan-2-ylphenyl)-3-phenylsulfanylpropanamide
CID 17381777
N-(2-bromophenyl)butanamide
CID 732405

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide?
The IUPAC name of N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide (CID 895128) is N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide.
What is the SMILES notation for N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide?
The canonical SMILES for N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide is CCCC(=O)Nc1ccccc1NC(=O)CSc1ccccc1.
What is the InChIKey of N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide?
The InChIKey is QDSBCPSQQQTWLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-2-8-17(21)19-15-11-6-7-12-16(15)20-18(22)13-23-14-9-4-3-5-10-14/h3-7,9-12H,2,8,13H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide?
N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide has a molecular weight of 328.44 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-phenylsulfanylacetyl)amino]phenyl]butanamide is sourced from PubChem (CID 895128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).