2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide

C25H28N2O4S2 — CID 51548997

IUPAC2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-19(17-31-2)27-33(29,30)23-15-13-22(14-16-23)26-24(28)18-32-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,19,25,27H,17-18H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyKANKEHIZWBVMOF-IBGZPJMESA-N
MW484.64 g/mol
LogP4.46
Rot. Bonds11

About 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide

2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide (PubChem CID 51548997) has the molecular formula C25H28N2O4S2 and a molecular weight of 484.64 g/mol. Its IUPAC name is 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound Name2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
PubChem CID51548997
Molecular FormulaC25H28N2O4S2
Molecular Weight484.64 g/mol
Exact Mass484.15
IUPAC Name2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
SMILESCOC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H28N2O4S2/c1-19(17-31-2)27-33(29,30)23-15-13-22(14-16-23)26-24(28)18-32-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,19,25,27H,17-18H2,1-2H3,(H,26,28)/t19-/m0/s1
InChIKeyKANKEHIZWBVMOF-IBGZPJMESA-N
XLogP4.46
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.64
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-3-phenylbutanamide
CID 43007936
N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 670303
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-4-phenoxybutanamide
CID 43007962
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-methylbutanamide
CID 51331716
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]pyridine-2-carboxamide
CID 4780813
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]propanamide
CID 43035683
4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]-N-[(2R)-2-phenylpropyl]benzamide
CID 9301798
4-methoxy-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-1-phenylpyrazole-3-carboxamide
CID 55381026
2,6-difluoro-N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]benzamide
CID 78778266
N-[4-(1-methoxypropan-2-ylsulfamoyl)phenyl]-2-(2-phenoxyethoxy)benzamide
CID 42999581
4-(1-methoxypropan-2-ylsulfamoyl)-N-(4-sulfamoylphenyl)benzamide
CID 42909880
2-(3-ethylphenoxy)-N-[4-[[(2R)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide
CID 51549053

Frequently Asked Questions

What is the IUPAC name of 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide?
The IUPAC name of 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide (CID 51548997) is 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide is COC[C@H](C)NS(=O)(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide?
The InChIKey is KANKEHIZWBVMOF-IBGZPJMESA-N. The full InChI is InChI=1S/C25H28N2O4S2/c1-19(17-31-2)27-33(29,30)23-15-13-22(14-16-23)26-24(28)18-32-25(20-9-5-3-6-10-20)21-11-7-4-8-12-21/h3-16,19,25,27H,17-18H2,1-2H3,(H,26,28)/t19-/m0/s1.
What are the key properties of 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide?
2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide has a molecular weight of 484.64 g/mol, XLogP of 4.46, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzhydrylsulfanyl-N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 51548997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).