(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide

C17H20N2O4S2 — CID 9428550

IUPAC(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H20N2O4S2/c1-11-4-7-14(8-5-11)24-12(2)17(20)19-13-6-9-15(23-3)16(10-13)25(18,21)22/h4-10,12H,1-3H3,(H,19,20)(H2,18,21,22)/t12-/m0/s1
InChIKeyXHRPQDLDZHDIMA-LBPRGKRZSA-N
MW380.49 g/mol
LogP2.77
Rot. Bonds6

About (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide

(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide (PubChem CID 9428550) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
PubChem CID9428550
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
SMILESCOc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1S(N)(=O)=O
InChIInChI=1S/C17H20N2O4S2/c1-11-4-7-14(8-5-11)24-12(2)17(20)19-13-6-9-15(23-3)16(10-13)25(18,21)22/h4-10,12H,1-3H3,(H,19,20)(H2,18,21,22)/t12-/m0/s1
InChIKeyXHRPQDLDZHDIMA-LBPRGKRZSA-N
XLogP2.77
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(3,4-dimethoxyphenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 94020254
N-(3-methoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 2942646
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
N-(4-methoxy-3-sulfamoylphenyl)-2,2-dimethylpropanamide
CID 43082414
(2R)-N-(4-tert-butylphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 6927703
N-(3-amino-4-fluorophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 43093514
(2S)-2-(4-methylphenyl)sulfanyl-N-(4-methylsulfanylphenyl)propanamide
CID 9180009
(2R)-2-(4-methylphenyl)sulfanyl-N-naphthalen-2-ylpropanamide
CID 126117082
(2S)-N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 41326927
(2R)-N-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 9398153
N-[4-[1-(3,4-dimethylanilino)-1-oxopropan-2-yl]sulfanylphenyl]-3,4-dimethoxybenzamide
CID 23095968
(2S)-N-(4-bromophenyl)-2-(4-methylphenyl)sulfanylpropanamide
CID 126133104

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide (CID 9428550) is (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide is COc1ccc(NC(=O)[C@H](C)Sc2ccc(C)cc2)cc1S(N)(=O)=O.
What is the InChIKey of (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
The InChIKey is XHRPQDLDZHDIMA-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-11-4-7-14(8-5-11)24-12(2)17(20)19-13-6-9-15(23-3)16(10-13)25(18,21)22/h4-10,12H,1-3H3,(H,19,20)(H2,18,21,22)/t12-/m0/s1.
What are the key properties of (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide?
(2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(4-methoxy-3-sulfamoylphenyl)-2-(4-methylphenyl)sulfanylpropanamide is sourced from PubChem (CID 9428550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).