N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

C15H22N2O2S — CID 2498564

IUPACN-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-11-7-5-6-8-12(11)9-20-10-13(18)16-14(19)17-15(2,3)4/h5-8H,9-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyMNEHJSCWOYDNFH-UHFFFAOYSA-N
MW294.42 g/mol
LogP2.85
Rot. Bonds4

About N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 2498564) has the molecular formula C15H22N2O2S and a molecular weight of 294.42 g/mol. Its IUPAC name is N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID2498564
Molecular FormulaC15H22N2O2S
Molecular Weight294.42 g/mol
Exact Mass294.14
IUPAC NameN-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)NC(=O)NC(C)(C)C
InChIInChI=1S/C15H22N2O2S/c1-11-7-5-6-8-12(11)9-20-10-13(18)16-14(19)17-15(2,3)4/h5-8H,9-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyMNEHJSCWOYDNFH-UHFFFAOYSA-N
XLogP2.85
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(tert-butylcarbamoyl)-2-[3-(trifluoromethyl)phenyl]sulfanylacetamide
CID 2591947
N-(ethylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]propanamide
CID 2999687
(S)-5-Methyl-5-(phenylmethylthiomethyl)-2,4-imidazolidinedione
CID 24751889
N-carbamoyl-3-[1-(2,6-difluorophenyl)ethylsulfanyl]propanamide
CID 47321650
N-carbamoyl-3-[1-(3-fluorophenyl)ethylsulfanyl]propanamide
CID 47321656
N-carbamoyl-3-[1-(2-fluorophenyl)ethylsulfanyl]propanamide
CID 47321719
N-carbamoyl-3-[1-(2,4-difluorophenyl)ethylsulfanyl]propanamide
CID 47359446
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(ethylcarbamoyl)acetamide
CID 47408792
N-(ethylcarbamoyl)-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
CID 49154270
2-[1-(2-fluorophenyl)ethylsulfanyl]-N-(methylcarbamoyl)acetamide
CID 49154329
N-carbamoyl-2-[1-(2-fluorophenyl)ethylsulfanyl]acetamide
CID 49154336
2-benzylsulfanyl-N-(2,4-dioxo-1H-pyrimidin-6-yl)acetamide
CID 2148516

Frequently Asked Questions

What is the IUPAC name of N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 2498564) is N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)NC(=O)NC(C)(C)C.
What is the InChIKey of N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is MNEHJSCWOYDNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2S/c1-11-7-5-6-8-12(11)9-20-10-13(18)16-14(19)17-15(2,3)4/h5-8H,9-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 294.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(tert-butylcarbamoyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 2498564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).