2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

C15H22N2OS — CID 119691502

IUPAC2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)CNCC2CC2)cc1
InChIInChI=1S/C15H22N2OS/c1-12-2-6-14(7-3-12)19-9-8-17-15(18)11-16-10-13-4-5-13/h2-3,6-7,13,16H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyBFAUSSXIYXEXKJ-UHFFFAOYSA-N
MW278.42 g/mol
LogP2.20
Rot. Bonds8

About 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide

2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (PubChem CID 119691502) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
PubChem CID119691502
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
SMILESCc1ccc(SCCNC(=O)CNCC2CC2)cc1
InChIInChI=1S/C15H22N2OS/c1-12-2-6-14(7-3-12)19-9-8-17-15(18)11-16-10-13-4-5-13/h2-3,6-7,13,16H,4-5,8-11H2,1H3,(H,17,18)
InChIKeyBFAUSSXIYXEXKJ-UHFFFAOYSA-N
XLogP2.20
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(cyclopropylmethyl)-2-methyl-3-[2-(4-methylphenyl)sulfanylethyl]guanidine
CID 111375790
2-[3-(methylamino)piperidin-1-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide;hydrochloride
CID 119919434
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-hydroxy-N-[2-(4-methylphenyl)sulfanylethyl]cyclopentane-1-carboxamide
CID 110015113
N-[2-(4-methylphenyl)sulfanylethyl]-2-(phenylcarbamoylamino)acetamide
CID 24583699
2-[(3aS,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 8950980
2-(cyclopropylmethylamino)-N-[1-(4-methylphenyl)ethyl]acetamide;hydrochloride
CID 119705801
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]acetate
CID 11909285
N-[2-(4-methylphenyl)sulfanylethyl]-2-phenoxyacetamide
CID 3117798
[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-phenylsulfanylacetate
CID 7630193
methyl 2-[2-[[2-(cyclopropylmethylamino)acetyl]amino]ethylsulfanyl]acetate
CID 119777669
2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 18227488

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The IUPAC name of 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide (CID 119691502) is 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The canonical SMILES for 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is Cc1ccc(SCCNC(=O)CNCC2CC2)cc1.
What is the InChIKey of 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
The InChIKey is BFAUSSXIYXEXKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-12-2-6-14(7-3-12)19-9-8-17-15(18)11-16-10-13-4-5-13/h2-3,6-7,13,16H,4-5,8-11H2,1H3,(H,17,18).
What are the key properties of 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide?
2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide has a molecular weight of 278.42 g/mol, XLogP of 2.20, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethylamino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide is sourced from PubChem (CID 119691502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).