N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide

C23H21ClN2O3S — CID 18905544

IUPACN-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(NC(=O)COc2ccccc2)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H21ClN2O3S/c1-16(23(28)26-21-13-6-5-12-20(21)24)30-19-11-7-8-17(14-19)25-22(27)15-29-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBVWULGPNDQXJTF-UHFFFAOYSA-N
MW440.95 g/mol
LogP5.48
Rot. Bonds8

About N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide

N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide (PubChem CID 18905544) has the molecular formula C23H21ClN2O3S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
PubChem CID18905544
Molecular FormulaC23H21ClN2O3S
Molecular Weight440.95 g/mol
Exact Mass440.10
IUPAC NameN-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
SMILESCC(Sc1cccc(NC(=O)COc2ccccc2)c1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C23H21ClN2O3S/c1-16(23(28)26-21-13-6-5-12-20(21)24)30-19-11-7-8-17(14-19)25-22(27)15-29-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28)
InChIKeyBVWULGPNDQXJTF-UHFFFAOYSA-N
XLogP5.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.95
LogP ≤ 55.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanoylamino]benzamide
CID 18905603
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 18905608
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-phenylpropanamide
CID 19631549
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide
CID 23100140
N-[3-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 18902664
N-(2,3-dichlorophenyl)-2-[3-(phenylcarbamothioylamino)phenyl]sulfanylpropanamide
CID 19316264
2-[4-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-N-(4-propan-2-ylphenyl)propanamide
CID 22782289
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
N-(2-methoxyphenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905866
N-(2,5-dimethylphenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanyl-2-phenylacetamide
CID 18905774
N-(2-bromophenyl)-2-[3-[(2-phenylacetyl)amino]phenyl]sulfanylpropanamide
CID 18905829
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylbutanamide
CID 18905709

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide (CID 18905544) is N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide is CC(Sc1cccc(NC(=O)COc2ccccc2)c1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide?
The InChIKey is BVWULGPNDQXJTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3S/c1-16(23(28)26-21-13-6-5-12-20(21)24)30-19-11-7-8-17(14-19)25-22(27)15-29-18-9-3-2-4-10-18/h2-14,16H,15H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide?
N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide has a molecular weight of 440.95 g/mol, XLogP of 5.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[3-[(2-phenoxyacetyl)amino]phenyl]sulfanylpropanamide is sourced from PubChem (CID 18905544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).