(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide

C19H23N3O3S — CID 119289681

IUPAC(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H23N3O3S/c1-26-11-10-17(20)19(24)22-15-8-5-9-16(12-15)25-13-18(23)21-14-6-3-2-4-7-14/h2-9,12,17H,10-11,13,20H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyOUZBUXZIVHIHKZ-KRWDZBQOSA-N
MW373.48 g/mol
LogP2.72
Rot. Bonds9

About (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide

(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide (PubChem CID 119289681) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide
PubChem CID119289681
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC Name(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide
SMILESCSCC[C@H](N)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1
InChIInChI=1S/C19H23N3O3S/c1-26-11-10-17(20)19(24)22-15-8-5-9-16(12-15)25-13-18(23)21-14-6-3-2-4-7-14/h2-9,12,17H,10-11,13,20H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1
InChIKeyOUZBUXZIVHIHKZ-KRWDZBQOSA-N
XLogP2.72
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[3-[(2-methylphenyl)methoxy]phenyl]-4-methylsulfanylbutanamide
CID 119324544
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119280795
(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119723901
(2R)-2-amino-4-methylsulfanyl-N-[3-(trifluoromethoxy)phenyl]butanamide
CID 104906851
(2S)-2-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-methylsulfanylbutanamide
CID 119319639
(2S)-2-amino-N-[4-[2-(methylamino)-2-oxoethoxy]phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119319638
2-amino-4-methylsulfanyl-N-naphthalen-2-ylbutanamide;hydrochloride
CID 18408186
(2S)-2-amino-4-methylsulfanyl-N-[3-(3-phenylpropyl)phenyl]butanamide;hydrochloride
CID 119316029
2-[3-[[(2S)-2-aminobutanoyl]amino]phenoxy]acetic acid
CID 79023142
(2S)-N-(3-acetylphenyl)-2-amino-4-methylsulfanylbutanamide;hydrochloride
CID 119262966
2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
CID 119284120
methyl 3-[[(2S)-2-amino-4-methylsulfanylbutanoyl]amino]benzoate;hydrochloride
CID 119266102

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide (CID 119289681) is (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide is CSCC[C@H](N)C(=O)Nc1cccc(OCC(=O)Nc2ccccc2)c1.
What is the InChIKey of (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide?
The InChIKey is OUZBUXZIVHIHKZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-26-11-10-17(20)19(24)22-15-8-5-9-16(12-15)25-13-18(23)21-14-6-3-2-4-7-14/h2-9,12,17H,10-11,13,20H2,1H3,(H,21,23)(H,22,24)/t17-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide?
(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide has a molecular weight of 373.48 g/mol, XLogP of 2.72, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide is sourced from PubChem (CID 119289681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).