3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide

C15H23N3O2S — CID 104907128

IUPAC3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)[C@H](N)CCSC)c1
InChIInChI=1S/C15H23N3O2S/c1-3-8-17-14(19)11-5-4-6-12(10-11)18-15(20)13(16)7-9-21-2/h4-6,10,13H,3,7-9,16H2,1-2H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyIDOGZVLMAVXDBK-CYBMUJFWSA-N
MW309.44 g/mol
LogP1.85
Rot. Bonds8

About 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide

3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide (PubChem CID 104907128) has the molecular formula C15H23N3O2S and a molecular weight of 309.44 g/mol. Its IUPAC name is 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide.

Molecular Properties

Compound Name3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
PubChem CID104907128
Molecular FormulaC15H23N3O2S
Molecular Weight309.44 g/mol
Exact Mass309.15
IUPAC Name3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide
SMILESCCCNC(=O)c1cccc(NC(=O)[C@H](N)CCSC)c1
InChIInChI=1S/C15H23N3O2S/c1-3-8-17-14(19)11-5-4-6-12(10-11)18-15(20)13(16)7-9-21-2/h4-6,10,13H,3,7-9,16H2,1-2H3,(H,17,19)(H,18,20)/t13-/m1/s1
InChIKeyIDOGZVLMAVXDBK-CYBMUJFWSA-N
XLogP1.85
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.44
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(3-acetylphenyl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
CID 119262966
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N,N-diethylbenzamide;hydrochloride
CID 119269046
3-[[(2R)-2-aminopentanoyl]amino]-N-ethylbenzamide
CID 103794052
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate;hydrochloride
CID 119266102
3-[[(2R)-2-amino-3-methylbutanoyl]amino]-N-propylbenzamide
CID 79011822
3-[(2-amino-3-methylbutanoyl)amino]-N-propylbenzamide
CID 43700232
3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]-N-methyl-N-phenylbenzamide;hydrochloride
CID 119284401
3-(2-aminopentanoylamino)-N-(3-ethoxypropyl)benzamide
CID 119286264
(2S)-2-amino-4-methylsulfanyl-N-(3-propan-2-ylphenyl)butanamide;hydrochloride
CID 119269841
3-[(3-amino-2-methoxypropanoyl)amino]-N-propylbenzamide
CID 106111461
(2S)-2-amino-4-methylsulfanyl-N-[3-(thiomorpholine-4-carbonyl)phenyl]butanamide
CID 119309634
(2R)-2-[[3-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]benzoyl]amino]-4-methylsulfanylbutanoic acid
CID 129407665

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide?
The IUPAC name of 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide (CID 104907128) is 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide.
What is the SMILES notation for 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide?
The canonical SMILES for 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide is CCCNC(=O)c1cccc(NC(=O)[C@H](N)CCSC)c1.
What is the InChIKey of 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide?
The InChIKey is IDOGZVLMAVXDBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23N3O2S/c1-3-8-17-14(19)11-5-4-6-12(10-11)18-15(20)13(16)7-9-21-2/h4-6,10,13H,3,7-9,16H2,1-2H3,(H,17,19)(H,18,20)/t13-/m1/s1.
What are the key properties of 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide?
3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide has a molecular weight of 309.44 g/mol, XLogP of 1.85, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-2-amino-4-methylsulfanylbutanoyl]amino]-N-propylbenzamide is sourced from PubChem (CID 104907128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).