(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide

C18H22N2O5S2 — CID 126394180

IUPAC(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1OC
InChIInChI=1S/C18H22N2O5S2/c1-12(18(21)19-13-6-5-7-14(10-13)26-4)20-27(22,23)15-8-9-16(24-2)17(11-15)25-3/h5-12,20H,1-4H3,(H,19,21)/t12-/m0/s1
InChIKeyHVGBWOGENHPCDH-LBPRGKRZSA-N
MW410.52 g/mol
LogP2.73
Rot. Bonds8

About (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide

(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide (PubChem CID 126394180) has the molecular formula C18H22N2O5S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
PubChem CID126394180
Molecular FormulaC18H22N2O5S2
Molecular Weight410.52 g/mol
Exact Mass410.10
IUPAC Name(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1OC
InChIInChI=1S/C18H22N2O5S2/c1-12(18(21)19-13-6-5-7-14(10-13)26-4)20-27(22,23)15-8-9-16(24-2)17(11-15)25-3/h5-12,20H,1-4H3,(H,19,21)/t12-/m0/s1
InChIKeyHVGBWOGENHPCDH-LBPRGKRZSA-N
XLogP2.73
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylphenyl)propanamide
CID 5034274
2-[(5-fluoro-2-methoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 43890648
(2S)-2-(benzenesulfonamido)-N-(3-methylsulfanylphenyl)propanamide
CID 1254729
(2S)-2-[(4-acetamidophenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide
CID 24536242
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 5253893
(2S)-N-(3,5-dichlorophenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41302643
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
N-(3,4-dimethoxyphenyl)-2-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 3918637
(2R)-N-[3,5-bis(trifluoromethyl)phenyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 28549200
(2R)-N-(2,5-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 41339684
2-(carbamoylamino)-N-(3-methylsulfanylphenyl)propanamide
CID 74646045
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(4-ethoxyphenyl)propanamide
CID 126397145

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
The IUPAC name of (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide (CID 126394180) is (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide.
What is the SMILES notation for (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
The canonical SMILES for (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide is COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Nc2cccc(SC)c2)cc1OC.
What is the InChIKey of (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
The InChIKey is HVGBWOGENHPCDH-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N2O5S2/c1-12(18(21)19-13-6-5-7-14(10-13)26-4)20-27(22,23)15-8-9-16(24-2)17(11-15)25-3/h5-12,20H,1-4H3,(H,19,21)/t12-/m0/s1.
What are the key properties of (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide?
(2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide has a molecular weight of 410.52 g/mol, XLogP of 2.73, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-(3-methylsulfanylphenyl)propanamide is sourced from PubChem (CID 126394180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).