N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide

C14H20N2OS — CID 54956869

IUPACN-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide
SMILESCCN(C(=O)CNc1cccc(SC)c1)C1CC1
InChIInChI=1S/C14H20N2OS/c1-3-16(12-7-8-12)14(17)10-15-11-5-4-6-13(9-11)18-2/h4-6,9,12,15H,3,7-8,10H2,1-2H3
InChIKeyHDWGRASMORMFNS-UHFFFAOYSA-N
MW264.39 g/mol
LogP2.83
Rot. Bonds6

About N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide

N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide (PubChem CID 54956869) has the molecular formula C14H20N2OS and a molecular weight of 264.39 g/mol. Its IUPAC name is N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide
PubChem CID54956869
Molecular FormulaC14H20N2OS
Molecular Weight264.39 g/mol
Exact Mass264.13
IUPAC NameN-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide
SMILESCCN(C(=O)CNc1cccc(SC)c1)C1CC1
InChIInChI=1S/C14H20N2OS/c1-3-16(12-7-8-12)14(17)10-15-11-5-4-6-13(9-11)18-2/h4-6,9,12,15H,3,7-8,10H2,1-2H3
InChIKeyHDWGRASMORMFNS-UHFFFAOYSA-N
XLogP2.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-acetylanilino)-N-cyclohexyl-N-ethylacetamide
CID 47005247
2-(4-acetamidoanilino)-N-cyclopropyl-N-ethylacetamide
CID 61488338
N-cyclopropyl-N-ethyl-2-(3-fluoro-4-methoxyanilino)acetamide
CID 61488261
N-methyl-2-(3-methylsulfanylanilino)acetamide
CID 28568297
2-[4-chloro-3-(trifluoromethyl)anilino]-N-cyclopropyl-N-ethylacetamide
CID 61488089
2-(1-benzothiophen-5-ylamino)-N-cyclopropyl-N-ethylacetamide
CID 65475664
2-(3-acetylanilino)-N-(1,1-dioxothiolan-3-yl)-N-ethylacetamide
CID 78821733
N-(2-methylidenebutyl)-3-methylsulfanylaniline
CID 66047338
N-cyclohexyl-2-(2,6-difluoroanilino)-N-ethylacetamide
CID 78822634
2-[4-(cyanomethyl)anilino]-N-cyclopropyl-N-ethylacetamide
CID 62302192
1-[(3-methylsulfanylanilino)methyl]cyclopentan-1-ol
CID 65210779
N-[(E)-3-chloro-2-methylprop-2-enyl]-3-methylsulfanylaniline
CID 106437281

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide?
The IUPAC name of N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide (CID 54956869) is N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide.
What is the SMILES notation for N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide?
The canonical SMILES for N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide is CCN(C(=O)CNc1cccc(SC)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide?
The InChIKey is HDWGRASMORMFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2OS/c1-3-16(12-7-8-12)14(17)10-15-11-5-4-6-13(9-11)18-2/h4-6,9,12,15H,3,7-8,10H2,1-2H3.
What are the key properties of N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide?
N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide has a molecular weight of 264.39 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-ethyl-2-(3-methylsulfanylanilino)acetamide is sourced from PubChem (CID 54956869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).