N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide

C17H19N3O2S — CID 36823108

IUPACN-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2cccc(NC(N)=O)c2)c1
InChIInChI=1S/C17H19N3O2S/c1-11-6-7-12(2)15(8-11)23-10-16(21)19-13-4-3-5-14(9-13)20-17(18)22/h3-9H,10H2,1-2H3,(H,19,21)(H3,18,20,22)
InChIKeyDTIXTTHRALSILM-UHFFFAOYSA-N
MW329.43 g/mol
LogP3.52
Rot. Bonds5

About N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide

N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide (PubChem CID 36823108) has the molecular formula C17H19N3O2S and a molecular weight of 329.43 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
PubChem CID36823108
Molecular FormulaC17H19N3O2S
Molecular Weight329.43 g/mol
Exact Mass329.12
IUPAC NameN-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide
SMILESCc1ccc(C)c(SCC(=O)Nc2cccc(NC(N)=O)c2)c1
InChIInChI=1S/C17H19N3O2S/c1-11-6-7-12(2)15(8-11)23-10-16(21)19-13-4-3-5-14(9-13)20-17(18)22/h3-9H,10H2,1-2H3,(H,19,21)(H3,18,20,22)
InChIKeyDTIXTTHRALSILM-UHFFFAOYSA-N
XLogP3.52
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.43
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,6-difluorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616259
N-(3,5-dimethoxyphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2708614
N-(2,4-dimethylphenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 24679630
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-bromophenyl)acetamide
CID 79142821
2-(2-amino-5-methylphenyl)sulfanyl-N-(3-chlorophenyl)acetamide
CID 79142033
2-(5-amino-2-methylphenyl)sulfanyl-N-(4-methylphenyl)acetamide
CID 79141243
2-(2,5-dimethylphenyl)sulfanyl-N-(2-methyl-1,3-dioxoisoindol-5-yl)acetamide
CID 32796362
2-(2,5-dimethylphenyl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 2616290
4-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]-N,N-dimethylbenzamide
CID 2674343
N-(2-chlorophenyl)-2-(2,5-dimethylphenyl)sulfanylacetamide
CID 2616242
2-[[2-(2,5-dimethylphenyl)sulfanylacetyl]amino]thiophene-3-carboxamide
CID 2103495
N-[3-(carbamoylamino)phenyl]-2-naphthalen-2-ylsulfanylacetamide
CID 55539737

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide (CID 36823108) is N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide is Cc1ccc(C)c(SCC(=O)Nc2cccc(NC(N)=O)c2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
The InChIKey is DTIXTTHRALSILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2S/c1-11-6-7-12(2)15(8-11)23-10-16(21)19-13-4-3-5-14(9-13)20-17(18)22/h3-9H,10H2,1-2H3,(H,19,21)(H3,18,20,22).
What are the key properties of N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide?
N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide has a molecular weight of 329.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-2-(2,5-dimethylphenyl)sulfanylacetamide is sourced from PubChem (CID 36823108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).