N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide

C19H17ClN2O3S3 — CID 22782899

IUPACN-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O3S3/c1-13(19(23)21-17-6-3-2-5-16(17)20)27-15-10-8-14(9-11-15)22-28(24,25)18-7-4-12-26-18/h2-13,22H,1H3,(H,21,23)
InChIKeyGCNGAISEUOKITN-UHFFFAOYSA-N
MW453.01 g/mol
LogP5.32
Rot. Bonds7

About N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide

N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide (PubChem CID 22782899) has the molecular formula C19H17ClN2O3S3 and a molecular weight of 453.01 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
PubChem CID22782899
Molecular FormulaC19H17ClN2O3S3
Molecular Weight453.01 g/mol
Exact Mass452.01
IUPAC NameN-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
SMILESCC(Sc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H17ClN2O3S3/c1-13(19(23)21-17-6-3-2-5-16(17)20)27-15-10-8-14(9-11-15)22-28(24,25)18-7-4-12-26-18/h2-13,22H,1H3,(H,21,23)
InChIKeyGCNGAISEUOKITN-UHFFFAOYSA-N
XLogP5.32
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.01
LogP ≤ 55.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-dichlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23098743
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23099783
N-(3-chloro-4-methoxyphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 23098244
N-(3-methylphenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 22779737
N-(5-chloro-2-methylphenyl)-2-phenyl-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 21168191
N-(4-naphthalen-2-yl-1,3-thiazol-2-yl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide
CID 21169675
N-(2,3-dichlorophenyl)-2-[4-(phenylcarbamoylamino)phenyl]sulfanylpropanamide
CID 19712386
(2R)-N-(2-chlorophenyl)-2-naphthalen-2-ylsulfanylpropanamide
CID 8957293
N-[4-[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanylphenyl]-4-fluorobenzamide
CID 22778942
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide
CID 23100906
N-(2,3-dichlorophenyl)-2-phenylsulfanylpropanamide
CID 2955781
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-phenylpropanamide
CID 22776010

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
The IUPAC name of N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide (CID 22782899) is N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
The canonical SMILES for N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide is CC(Sc1ccc(NS(=O)(=O)c2cccs2)cc1)C(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
The InChIKey is GCNGAISEUOKITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3S3/c1-13(19(23)21-17-6-3-2-5-16(17)20)27-15-10-8-14(9-11-15)22-28(24,25)18-7-4-12-26-18/h2-13,22H,1H3,(H,21,23).
What are the key properties of N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide?
N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide has a molecular weight of 453.01 g/mol, XLogP of 5.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylpropanamide is sourced from PubChem (CID 22782899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).