2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide

C16H17N3O2S — CID 7997045

IUPAC2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)Nc2ccccc2SCC(N)=O)c1
InChIInChI=1S/C16H17N3O2S/c1-11-5-4-6-12(9-11)18-16(21)19-13-7-2-3-8-14(13)22-10-15(17)20/h2-9H,10H2,1H3,(H2,17,20)(H2,18,19,21)
InChIKeyFFELKOGRWYHBFT-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.22
Rot. Bonds5

About 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide

2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide (PubChem CID 7997045) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
PubChem CID7997045
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide
SMILESCc1cccc(NC(=O)Nc2ccccc2SCC(N)=O)c1
InChIInChI=1S/C16H17N3O2S/c1-11-5-4-6-12(9-11)18-16(21)19-13-7-2-3-8-14(13)22-10-15(17)20/h2-9H,10H2,1H3,(H2,17,20)(H2,18,19,21)
InChIKeyFFELKOGRWYHBFT-UHFFFAOYSA-N
XLogP3.22
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-methylphenyl)propanamide
CID 9044547
2-(2-amino-2-oxoethyl)sulfanyl-N-(3-methylphenyl)benzamide
CID 36676700
2-[2-[(3,4-dichlorophenyl)carbamoylamino]phenyl]sulfanylacetamide
CID 7997047
2-[2-[1-(3-methylphenyl)ethylamino]phenyl]sulfanylacetamide
CID 43786495
2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-N-(3-propan-2-ylphenyl)acetamide
CID 46700581
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
1-(2-butan-2-ylphenyl)-3-(3-methylphenyl)urea
CID 108888011
[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 9041753
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-chloro-2-methylpropanamide
CID 62727753
2-[(3-methylphenyl)carbamoylamino]acetamide
CID 47122532
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-bromobenzamide
CID 7670731
4-amino-N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-methylbutanamide
CID 80543338

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide?
The IUPAC name of 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide (CID 7997045) is 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide.
What is the SMILES notation for 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide?
The canonical SMILES for 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide is Cc1cccc(NC(=O)Nc2ccccc2SCC(N)=O)c1.
What is the InChIKey of 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide?
The InChIKey is FFELKOGRWYHBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-11-5-4-6-12(9-11)18-16(21)19-13-7-2-3-8-14(13)22-10-15(17)20/h2-9H,10H2,1H3,(H2,17,20)(H2,18,19,21).
What are the key properties of 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide?
2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide has a molecular weight of 315.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-methylphenyl)carbamoylamino]phenyl]sulfanylacetamide is sourced from PubChem (CID 7997045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).