N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

C17H25N3O2S — CID 119603715

IUPACN-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C17H25N3O2S/c1-12-5-7-14(8-6-12)19-16(21)10-23-11-17(22)20-15-4-2-3-13(15)9-18/h5-8,13,15H,2-4,9-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyIZXAEHSHNJCWBP-UHFFFAOYSA-N
MW335.47 g/mol
LogP1.91
Rot. Bonds7

About N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 119603715) has the molecular formula C17H25N3O2S and a molecular weight of 335.47 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID119603715
Molecular FormulaC17H25N3O2S
Molecular Weight335.47 g/mol
Exact Mass335.17
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)NC2CCCC2CN)cc1
InChIInChI=1S/C17H25N3O2S/c1-12-5-7-14(8-6-12)19-16(21)10-23-11-17(22)20-15-4-2-3-13(15)9-18/h5-8,13,15H,2-4,9-11,18H2,1H3,(H,19,21)(H,20,22)
InChIKeyIZXAEHSHNJCWBP-UHFFFAOYSA-N
XLogP1.91
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 119602483
N-[2-(aminomethyl)cyclohexyl]-2-(4-methylphenyl)sulfanylacetamide;hydrochloride
CID 119609155
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-(2-methylpiperidin-3-yl)acetamide
CID 120574349
N-[2-(hydroxymethyl)cyclopentyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 103774302
N-[2-(aminomethyl)cyclopentyl]-2-(2,5-dimethylphenyl)acetamide;hydrochloride
CID 119604312
2-[2-[cyclopentyl(ethyl)amino]-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 134060817
2-[2-(4-chloroanilino)-2-oxoethyl]sulfanyl-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9403960
N-[2-(aminomethyl)cyclohexyl]-4-(4-methylphenyl)-4-oxobutanamide;hydrochloride
CID 119610943
N-(2-aminoethyl)-3-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 39162031
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
N-[2-[[2-(aminomethyl)cyclohexyl]amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 119610794
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 119603715) is N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)NC2CCCC2CN)cc1.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is IZXAEHSHNJCWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2S/c1-12-5-7-14(8-6-12)19-16(21)10-23-11-17(22)20-15-4-2-3-13(15)9-18/h5-8,13,15H,2-4,9-11,18H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 335.47 g/mol, XLogP of 1.91, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 119603715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).