N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide

C19H24N2O4S2 — CID 28558016

IUPACN-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccc(SC)cc2)ccc1OC
InChIInChI=1S/C19H24N2O4S2/c1-5-19(22)20-17-12-16(10-11-18(17)25-3)27(23,24)21-13(2)14-6-8-15(26-4)9-7-14/h6-13,21H,5H2,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyKIFCEEJRDSQDCT-ZDUSSCGKSA-N
MW408.55 g/mol
LogP3.81
Rot. Bonds8

About N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide

N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide (PubChem CID 28558016) has the molecular formula C19H24N2O4S2 and a molecular weight of 408.55 g/mol. Its IUPAC name is N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide
PubChem CID28558016
Molecular FormulaC19H24N2O4S2
Molecular Weight408.55 g/mol
Exact Mass408.12
IUPAC NameN-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccc(SC)cc2)ccc1OC
InChIInChI=1S/C19H24N2O4S2/c1-5-19(22)20-17-12-16(10-11-18(17)25-3)27(23,24)21-13(2)14-6-8-15(26-4)9-7-14/h6-13,21H,5H2,1-4H3,(H,20,22)/t13-/m0/s1
InChIKeyKIFCEEJRDSQDCT-ZDUSSCGKSA-N
XLogP3.81
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]propanamide
CID 27211758
4-methoxy-3-methyl-N-[1-(4-methylsulfanylphenyl)ethyl]benzenesulfonamide
CID 43874224
N-[2-methoxy-5-(2-methylpropylsulfamoyl)phenyl]propanamide
CID 27211549
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methylsulfanylbenzenesulfonamide
CID 43886103
N-[5-[1-(4-bromophenyl)ethylsulfamoyl]-2-methoxyphenyl]acetamide
CID 43874029
N-[5-[[(1S)-1-(3,4-dimethoxyphenyl)ethyl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 28557971
4-methoxy-3-[(4-methylsulfanylphenyl)sulfonylamino]-N-propan-2-ylbenzenesulfonamide
CID 92678167
2-(4-ethoxy-N-(4-methylsulfanylphenyl)sulfonylanilino)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 99940963
N-[5-[[(2S)-butan-2-yl]sulfamoyl]-2-methoxyphenyl]acetamide
CID 8777670
N-[5-[[(1S)-1-(4-methoxyphenyl)ethyl]sulfamoyl]-2-methylsulfanylphenyl]acetamide
CID 100724795
N-[5-[(2,5-difluorophenyl)sulfamoyl]-2-methoxyphenyl]propanamide
CID 28558028
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-phenylpropanamide
CID 28539576

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide (CID 28558016) is N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide is CCC(=O)Nc1cc(S(=O)(=O)N[C@@H](C)c2ccc(SC)cc2)ccc1OC.
What is the InChIKey of N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide?
The InChIKey is KIFCEEJRDSQDCT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N2O4S2/c1-5-19(22)20-17-12-16(10-11-18(17)25-3)27(23,24)21-13(2)14-6-8-15(26-4)9-7-14/h6-13,21H,5H2,1-4H3,(H,20,22)/t13-/m0/s1.
What are the key properties of N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide?
N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide has a molecular weight of 408.55 g/mol, XLogP of 3.81, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-[[(1S)-1-(4-methylsulfanylphenyl)ethyl]sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 28558016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).