(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide

C15H22Cl2N2OS — CID 61163777

IUPAC(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide
SMILESCSCC[C@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C15H22Cl2N2OS/c1-10(2)19(15(20)14(18)6-7-21-3)9-11-4-5-12(16)13(17)8-11/h4-5,8,10,14H,6-7,9,18H2,1-3H3/t14-/m0/s1
InChIKeyLIWOKJWZZGBLLQ-AWEZNQCLSA-N
MW349.33 g/mol
LogP3.81
Rot. Bonds7

About (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide

(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide (PubChem CID 61163777) has the molecular formula C15H22Cl2N2OS and a molecular weight of 349.33 g/mol. Its IUPAC name is (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide
PubChem CID61163777
Molecular FormulaC15H22Cl2N2OS
Molecular Weight349.33 g/mol
Exact Mass348.08
IUPAC Name(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide
SMILESCSCC[C@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C
InChIInChI=1S/C15H22Cl2N2OS/c1-10(2)19(15(20)14(18)6-7-21-3)9-11-4-5-12(16)13(17)8-11/h4-5,8,10,14H,6-7,9,18H2,1-3H3/t14-/m0/s1
InChIKeyLIWOKJWZZGBLLQ-AWEZNQCLSA-N
XLogP3.81
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-N-[(3,4-dichlorophenyl)methyl]-N-propan-2-ylpropanamide
CID 107904496
2-bromo-N-[(3,4-dichlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide
CID 63463541
N-[(3,4-dichlorophenyl)methyl]-2-methyl-3-(methylamino)-N-propan-2-ylpropanamide;hydrochloride
CID 119740289
(2R)-2-amino-N-benzyl-N-butan-2-yl-4-methylsulfanylbutanamide
CID 104907611
(2R)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,4-dimethylpentanamide
CID 93367571
2-amino-N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N-methyl-4-methylsulfanylbutanamide;hydrochloride
CID 119267761
(2R)-2-amino-N-[(3-chlorophenyl)methyl]-N-ethyl-4-methylsulfanylbutanamide
CID 104907715
(2R)-2-amino-N-[(2,4-dichlorophenyl)methyl]-N-methyl-4-methylsulfanylbutanamide
CID 104907677
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N-ethylpropanamide;hydrochloride
CID 119300447
2-amino-N-cyclopropyl-N-[(3,4-dichlorophenyl)methyl]pentanamide;hydrochloride
CID 119298871
(2R)-2-amino-N-(2-methoxyethyl)-4-methylsulfanyl-N-propan-2-ylbutanamide
CID 104908944
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-N,3-dimethylpentanamide
CID 61174614

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide?
The IUPAC name of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide (CID 61163777) is (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide is CSCC[C@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C(C)C.
What is the InChIKey of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide?
The InChIKey is LIWOKJWZZGBLLQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22Cl2N2OS/c1-10(2)19(15(20)14(18)6-7-21-3)9-11-4-5-12(16)13(17)8-11/h4-5,8,10,14H,6-7,9,18H2,1-3H3/t14-/m0/s1.
What are the key properties of (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide?
(2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide has a molecular weight of 349.33 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[(3,4-dichlorophenyl)methyl]-4-methylsulfanyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 61163777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).