N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide

C18H18N2O2S — CID 27447667

IUPACN-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
SMILESO=C(CSc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H18N2O2S/c21-17(12-23-16-7-2-1-3-8-16)19-15-6-4-5-13(11-15)18(22)20-14-9-10-14/h1-8,11,14H,9-10,12H2,(H,19,21)(H,20,22)
InChIKeyVHVIWWYKFPVCPE-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.31
Rot. Bonds6

About N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide

N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide (PubChem CID 27447667) has the molecular formula C18H18N2O2S and a molecular weight of 326.42 g/mol. Its IUPAC name is N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
PubChem CID27447667
Molecular FormulaC18H18N2O2S
Molecular Weight326.42 g/mol
Exact Mass326.11
IUPAC NameN-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide
SMILESO=C(CSc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1
InChIInChI=1S/C18H18N2O2S/c21-17(12-23-16-7-2-1-3-8-16)19-15-6-4-5-13(11-15)18(22)20-14-9-10-14/h1-8,11,14H,9-10,12H2,(H,19,21)(H,20,22)
InChIKeyVHVIWWYKFPVCPE-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[[2-(1-phenylimidazol-2-yl)sulfanylacetyl]amino]benzamide
CID 25475114
N-cyclopropyl-3-[[2-[(2-phenylacetyl)amino]acetyl]amino]benzamide
CID 26110998
3-[4-(4-chlorophenyl)sulfanylbutanoylamino]-N-cyclopropylbenzamide
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3-[(2-cyanoacetyl)amino]-N-cyclopropylbenzamide
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3-[(2-naphthalen-2-ylsulfanylacetyl)amino]benzoic acid
CID 45425864
N-cyclopropyl-3-[(2,2-diphenylacetyl)amino]benzamide
CID 16567529
N-cyclopropyl-3-(5-hydroxypentanoylamino)benzamide
CID 79199370
3-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-N-cyclopropylbenzamide
CID 119908377
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
3-[[2-(3-benzamidoanilino)-2-oxoethyl]amino]-N-cyclohexylbenzamide
CID 54831035
3-[[2-(3-benzamidoanilino)acetyl]amino]-N-cyclohexylbenzamide
CID 54839098

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide?
The IUPAC name of N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide (CID 27447667) is N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide?
The canonical SMILES for N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide is O=C(CSc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1.
What is the InChIKey of N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide?
The InChIKey is VHVIWWYKFPVCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O2S/c21-17(12-23-16-7-2-1-3-8-16)19-15-6-4-5-13(11-15)18(22)20-14-9-10-14/h1-8,11,14H,9-10,12H2,(H,19,21)(H,20,22).
What are the key properties of N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide?
N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide has a molecular weight of 326.42 g/mol, XLogP of 3.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(2-phenylsulfanylacetyl)amino]benzamide is sourced from PubChem (CID 27447667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).