(2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide

C18H24N2O4S2 — CID 154866120

IUPAC(2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide
SMILESCSCC[C@H](NS(=O)(=O)c1ccc(OC(C)C)c2ccccc12)C(N)=O
InChIInChI=1S/C18H24N2O4S2/c1-12(2)24-16-8-9-17(14-7-5-4-6-13(14)16)26(22,23)20-15(18(19)21)10-11-25-3/h4-9,12,15,20H,10-11H2,1-3H3,(H2,19,21)/t15-/m0/s1
InChIKeyGGQQHIZJTCMMIL-HNNXBMFYSA-N
MW396.53 g/mol
LogP2.51
Rot. Bonds9

About (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide

(2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide (PubChem CID 154866120) has the molecular formula C18H24N2O4S2 and a molecular weight of 396.53 g/mol. Its IUPAC name is (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide.

Molecular Properties

Compound Name(2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide
PubChem CID154866120
Molecular FormulaC18H24N2O4S2
Molecular Weight396.53 g/mol
Exact Mass396.12
IUPAC Name(2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide
SMILESCSCC[C@H](NS(=O)(=O)c1ccc(OC(C)C)c2ccccc12)C(N)=O
InChIInChI=1S/C18H24N2O4S2/c1-12(2)24-16-8-9-17(14-7-5-4-6-13(14)16)26(22,23)20-15(18(19)21)10-11-25-3/h4-9,12,15,20H,10-11H2,1-3H3,(H2,19,21)/t15-/m0/s1
InChIKeyGGQQHIZJTCMMIL-HNNXBMFYSA-N
XLogP2.51
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide with MolForge

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 18474632
methyl (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7426963
[2-(methylamino)-2-oxoethyl] (2S)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982750
N-[1-[2-(3-methoxy-4-propan-2-yloxybenzoyl)hydrazinyl]-4-methylsulfanyl-1-oxobutan-2-yl]benzenesulfonamide
CID 55348608
(2R)-2-(1,2-dihydroacenaphthylen-5-ylsulfonylamino)-4-methylsulfanylbutanoic acid
CID 100820557
propan-2-yl 2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 3569774
propan-2-yl 2-[(4-chlorophenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 3250513
propan-2-yl 2-[(3-methylphenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 3668792
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 55323986
(2R)-4-methylsulfanyl-2-[(4-propan-2-ylphenyl)sulfonylamino]butanoic acid
CID 35767047
(2R)-4-methylsulfanyl-2-(naphthalen-2-ylsulfonylamino)butanoic acid
CID 2055040
[2-(dimethylamino)-2-oxoethyl] (2R)-2-(benzenesulfonamido)-4-methylsulfanylbutanoate
CID 7982744

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide?
The IUPAC name of (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide (CID 154866120) is (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide.
What is the SMILES notation for (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide?
The canonical SMILES for (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide is CSCC[C@H](NS(=O)(=O)c1ccc(OC(C)C)c2ccccc12)C(N)=O.
What is the InChIKey of (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide?
The InChIKey is GGQQHIZJTCMMIL-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O4S2/c1-12(2)24-16-8-9-17(14-7-5-4-6-13(14)16)26(22,23)20-15(18(19)21)10-11-25-3/h4-9,12,15,20H,10-11H2,1-3H3,(H2,19,21)/t15-/m0/s1.
What are the key properties of (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide?
(2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide has a molecular weight of 396.53 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methylsulfanyl-2-[(4-propan-2-yloxynaphthalen-1-yl)sulfonylamino]butanamide is sourced from PubChem (CID 154866120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).