2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide

C15H13Cl2N3O2S — CID 7997047

IUPAC2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O2S/c16-10-6-5-9(7-11(10)17)19-15(22)20-12-3-1-2-4-13(12)23-8-14(18)21/h1-7H,8H2,(H2,18,21)(H2,19,20,22)
InChIKeyCRRHLVDZDJXAFM-UHFFFAOYSA-N
MW370.26 g/mol
LogP4.21
Rot. Bonds5

About 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide

2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide (PubChem CID 7997047) has the molecular formula C15H13Cl2N3O2S and a molecular weight of 370.26 g/mol. Its IUPAC name is 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide
PubChem CID7997047
Molecular FormulaC15H13Cl2N3O2S
Molecular Weight370.26 g/mol
Exact Mass369.01
IUPAC Name2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide
SMILESNC(=O)CSc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H13Cl2N3O2S/c16-10-6-5-9(7-11(10)17)19-15(22)20-12-3-1-2-4-13(12)23-8-14(18)21/h1-7H,8H2,(H2,18,21)(H2,19,20,22)
InChIKeyCRRHLVDZDJXAFM-UHFFFAOYSA-N
XLogP4.21
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.26
LogP ≤ 54.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997045
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
2-[2-[(3,4-dichlorophenyl)sulfonylamino]phenyl]sulfanylacetamide
CID 9068061
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-[(3,4-dichlorophenyl)methyl]-methylazanium
CID 9041896
1-(3,4-dichlorophenyl)-3-(2-methylphenyl)urea
CID 769282
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
(2S)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(2,5-dichlorophenyl)propanamide
CID 9044544
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
2-(aminomethyl)-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-methylbutanamide
CID 65225017
4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methylbutanamide
CID 80543338
1-(2-chloroanilino)-3-(3,4-dichlorophenyl)urea
CID 27165302
1-(4-amino-3-chlorophenyl)-3-(3,4-dichlorophenyl)urea
CID 82861820

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide (CID 7997047) is 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide is NC(=O)CSc1ccccc1NC(=O)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide?
The InChIKey is CRRHLVDZDJXAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Cl2N3O2S/c16-10-6-5-9(7-11(10)17)19-15(22)20-12-3-1-2-4-13(12)23-8-14(18)21/h1-7H,8H2,(H2,18,21)(H2,19,20,22).
What are the key properties of 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide?
2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide has a molecular weight of 370.26 g/mol, XLogP of 4.21, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 7997047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).