3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide

C20H22N2O4S3 — CID 26381192

IUPAC3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H22N2O4S3/c1-26-17-8-5-13(12-18(17)29(24,25)22-15-6-7-15)19(23)21-16-4-2-3-14(11-16)20-27-9-10-28-20/h2-5,8,11-12,15,20,22H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyDHLIDKZKSWHZBI-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.87
Rot. Bonds7

About 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide

3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide (PubChem CID 26381192) has the molecular formula C20H22N2O4S3 and a molecular weight of 450.61 g/mol. Its IUPAC name is 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide.

Molecular Properties

Compound Name3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide
PubChem CID26381192
Molecular FormulaC20H22N2O4S3
Molecular Weight450.61 g/mol
Exact Mass450.07
IUPAC Name3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cc1S(=O)(=O)NC1CC1
InChIInChI=1S/C20H22N2O4S3/c1-26-17-8-5-13(12-18(17)29(24,25)22-15-6-7-15)19(23)21-16-4-2-3-14(11-16)20-27-9-10-28-20/h2-5,8,11-12,15,20,22H,6-7,9-10H2,1H3,(H,21,23)
InChIKeyDHLIDKZKSWHZBI-UHFFFAOYSA-N
XLogP3.87
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 29435478
ethyl 3-[[3-(cyclopropylsulfamoyl)-4-methoxybenzoyl]amino]benzoate
CID 9228353
3-(cyclopropylsulfamoyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methoxybenzamide
CID 55377344
N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxy-3-nitrobenzamide
CID 27889296
3-(cyclopropylsulfamoyl)-N-(4,5-dihydro-1,3-thiazol-2-yl)-4-methoxybenzamide
CID 9292477
N-(3-chloro-4-fluorophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 41451558
N-[3-(1,3-dithiolan-2-yl)phenyl]-3-methylsulfonylbenzamide
CID 27889138
3-(cyclopentylsulfamoyl)-N-(2,3-dimethylphenyl)-4-methoxybenzamide
CID 26915050
3-(cyclopentylsulfamoyl)-N-[2,6-di(propan-2-yl)phenyl]-4-methoxybenzamide
CID 26102322
N-(6-amino-3-pyridinyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 119515378
N-[3,5-bis(trifluoromethyl)phenyl]-3-(cyclohexylsulfamoyl)-4-methoxybenzamide
CID 100795505
N-(2-bromophenyl)-3-(cyclopentylsulfamoyl)-4-methoxybenzamide
CID 26536733

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide?
The IUPAC name of 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide (CID 26381192) is 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide.
What is the SMILES notation for 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide?
The canonical SMILES for 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2cccc(C3SCCS3)c2)cc1S(=O)(=O)NC1CC1.
What is the InChIKey of 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide?
The InChIKey is DHLIDKZKSWHZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S3/c1-26-17-8-5-13(12-18(17)29(24,25)22-15-6-7-15)19(23)21-16-4-2-3-14(11-16)20-27-9-10-28-20/h2-5,8,11-12,15,20,22H,6-7,9-10H2,1H3,(H,21,23).
What are the key properties of 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide?
3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide has a molecular weight of 450.61 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylsulfamoyl)-N-[3-(1,3-dithiolan-2-yl)phenyl]-4-methoxybenzamide is sourced from PubChem (CID 26381192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).