N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

C16H25N3O2S — CID 120654545

IUPACN-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCCN[C@H](C)CNC(=O)CSCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H25N3O2S/c1-4-17-13(3)9-18-15(20)10-22-11-16(21)19-14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeyRCONCZZOOQXISX-CYBMUJFWSA-N
MW323.46 g/mol
LogP1.78
Rot. Bonds9

About N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide

N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 120654545) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID120654545
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC NameN-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCCN[C@H](C)CNC(=O)CSCC(=O)Nc1ccc(C)cc1
InChIInChI=1S/C16H25N3O2S/c1-4-17-13(3)9-18-15(20)10-22-11-16(21)19-14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1
InChIKeyRCONCZZOOQXISX-CYBMUJFWSA-N
XLogP1.78
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzamide;hydrochloride
CID 120651172
2-[2-(heptan-2-ylamino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 78768315
propan-2-yl 4-[[2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetyl]amino]benzoate
CID 7732145
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
N-[(2R)-2-(ethylamino)propyl]-2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methylsulfanyl]acetamide
CID 120654185
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850
N-[(2R)-2-(ethylamino)propyl]-5-(4-methylphenyl)pentanamide
CID 120651415
2-(2,3-dihydroxypropylsulfanyl)-N-(4-methylphenyl)acetamide
CID 79682862
N-[2-(methylamino)propyl]-2-[(4-methylphenyl)methylsulfanyl]acetamide
CID 120827131
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[(3-methylphenyl)methyl]acetamide
CID 34165656
2-[2-(1,1-diphenylpropan-2-ylamino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 55589263
N-(4-methylphenyl)-2-[2-(4-nitroanilino)-2-oxoethyl]sulfanylacetamide
CID 55363585

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide (CID 120654545) is N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is CCN[C@H](C)CNC(=O)CSCC(=O)Nc1ccc(C)cc1.
What is the InChIKey of N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is RCONCZZOOQXISX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-4-17-13(3)9-18-15(20)10-22-11-16(21)19-14-7-5-12(2)6-8-14/h5-8,13,17H,4,9-11H2,1-3H3,(H,18,20)(H,19,21)/t13-/m1/s1.
What are the key properties of N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide?
N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 323.46 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(ethylamino)propyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 120654545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).