N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide

C15H23NOS — CID 39074949

IUPACN-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C15H23NOS/c1-6-16(15(3,4)5)14(17)11-18-13-9-7-12(2)8-10-13/h7-10H,6,11H2,1-5H3
InChIKeyALVIHYKGEPBUHJ-UHFFFAOYSA-N
MW265.42 g/mol
LogP3.73
Rot. Bonds4

About N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide

N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide (PubChem CID 39074949) has the molecular formula C15H23NOS and a molecular weight of 265.42 g/mol. Its IUPAC name is N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide
PubChem CID39074949
Molecular FormulaC15H23NOS
Molecular Weight265.42 g/mol
Exact Mass265.15
IUPAC NameN-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide
SMILESCCN(C(=O)CSc1ccc(C)cc1)C(C)(C)C
InChIInChI=1S/C15H23NOS/c1-6-16(15(3,4)5)14(17)11-18-13-9-7-12(2)8-10-13/h7-10H,6,11H2,1-5H3
InChIKeyALVIHYKGEPBUHJ-UHFFFAOYSA-N
XLogP3.73
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.42
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-2-(4-methylphenyl)sulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 86806985
2-[ethyl-(2-phenylsulfanylacetyl)amino]-2-methylpropanoic acid
CID 55123434
3-[ethyl-[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 62822270
N-[2-(dimethylamino)ethyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 142825753
3-[ethyl-[2-(4-methylphenyl)sulfanylacetyl]amino]-2-methylpropanoic acid
CID 62826480
2-[cyclopropyl-[2-(4-methylphenyl)sulfanylacetyl]amino]propanoic acid
CID 119203061
N-(3-methylphenyl)-2-(4-methylphenyl)sulfanyl-N-propylacetamide
CID 17321405
N-tert-butyl-2-[(4-methylphenyl)methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]butanamide
CID 132710666
4-[methyl-[2-(4-methylphenyl)sulfanylacetyl]amino]butanoic acid
CID 43240383
4-cyclopropyl-1-(4-methylphenyl)sulfanylbutan-2-one
CID 66064775
N-(2-amino-2-methylpropyl)-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119625677
N-[(4-hydroxyoxan-4-yl)methyl]-N-methyl-2-(4-methylphenyl)sulfanylacetamide
CID 114951485

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide?
The IUPAC name of N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide (CID 39074949) is N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide.
What is the SMILES notation for N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide?
The canonical SMILES for N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide is CCN(C(=O)CSc1ccc(C)cc1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide?
The InChIKey is ALVIHYKGEPBUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NOS/c1-6-16(15(3,4)5)14(17)11-18-13-9-7-12(2)8-10-13/h7-10H,6,11H2,1-5H3.
What are the key properties of N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide?
N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide has a molecular weight of 265.42 g/mol, XLogP of 3.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-ethyl-2-(4-methylphenyl)sulfanylacetamide is sourced from PubChem (CID 39074949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).