N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide

C12H17N3O2S — CID 47195585

IUPACN,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide
SMILESCSc1ccccc1NC(=O)NCC(=O)N(C)C
InChIInChI=1S/C12H17N3O2S/c1-15(2)11(16)8-13-12(17)14-9-6-4-5-7-10(9)18-3/h4-7H,8H2,1-3H3,(H2,13,14,17)
InChIKeyMTTYESUIZHKZDV-UHFFFAOYSA-N
MW267.35 g/mol
LogP1.62
Rot. Bonds4

About N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide

N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide (PubChem CID 47195585) has the molecular formula C12H17N3O2S and a molecular weight of 267.35 g/mol. Its IUPAC name is N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide
PubChem CID47195585
Molecular FormulaC12H17N3O2S
Molecular Weight267.35 g/mol
Exact Mass267.10
IUPAC NameN,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide
SMILESCSc1ccccc1NC(=O)NCC(=O)N(C)C
InChIInChI=1S/C12H17N3O2S/c1-15(2)11(16)8-13-12(17)14-9-6-4-5-7-10(9)18-3/h4-7H,8H2,1-3H3,(H2,13,14,17)
InChIKeyMTTYESUIZHKZDV-UHFFFAOYSA-N
XLogP1.62
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
1-(3-hydroxypropyl)-3-(2-methylsulfanylphenyl)urea
CID 110890577
1-(2-methylsulfanylphenyl)-3-propan-2-ylurea
CID 23548353
1-(2-methylsulfanylphenyl)-3-phenylurea
CID 966909
2-[(4-fluorophenyl)carbamoylamino]-N,N-dimethylacetamide
CID 27868583
N,N-dimethyl-2-[2-(3-methylbutylcarbamoylamino)phenyl]acetamide
CID 60576974
1-(2-methylsulfanylphenyl)-3-(2-phenoxyethyl)urea
CID 86987075
2-[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]-4-fluorobenzoic acid
CID 61199325
2-[[(2-methylsulfanylphenyl)carbamoylamino]methyl]pentanoic acid
CID 107642350
3-hydroxy-3-methyl-4-[(2-methylsulfanylphenyl)carbamoylamino]butanoic acid
CID 107642376
2-amino-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]acetamide
CID 60848322
1-heptan-4-yl-3-(2-methylsulfanylphenyl)urea
CID 58607472

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide?
The IUPAC name of N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide (CID 47195585) is N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide is CSc1ccccc1NC(=O)NCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide?
The InChIKey is MTTYESUIZHKZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2S/c1-15(2)11(16)8-13-12(17)14-9-6-4-5-7-10(9)18-3/h4-7H,8H2,1-3H3,(H2,13,14,17).
What are the key properties of N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide?
N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide has a molecular weight of 267.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(2-methylsulfanylphenyl)carbamoylamino]acetamide is sourced from PubChem (CID 47195585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).