5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide

C21H22N2O3S3 — CID 31840744

IUPAC5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C21H22N2O3S3/c1-15-6-9-19(29(25,26)22-16-7-8-16)12-20(15)21(24)23(13-17-4-2-10-27-17)14-18-5-3-11-28-18/h2-6,9-12,16,22H,7-8,13-14H2,1H3
InChIKeyYOXXPUWTKBMATC-UHFFFAOYSA-N
MW446.62 g/mol
LogP4.40
Rot. Bonds8

About 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide

5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide (PubChem CID 31840744) has the molecular formula C21H22N2O3S3 and a molecular weight of 446.62 g/mol. Its IUPAC name is 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
PubChem CID31840744
Molecular FormulaC21H22N2O3S3
Molecular Weight446.62 g/mol
Exact Mass446.08
IUPAC Name5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(Cc1cccs1)Cc1cccs1
InChIInChI=1S/C21H22N2O3S3/c1-15-6-9-19(29(25,26)22-16-7-8-16)12-20(15)21(24)23(13-17-4-2-10-27-17)14-18-5-3-11-28-18/h2-6,9-12,16,22H,7-8,13-14H2,1H3
InChIKeyYOXXPUWTKBMATC-UHFFFAOYSA-N
XLogP4.40
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.62
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163370
3-(cyclopentylsulfamoyl)-N,N-bis(thiophen-2-ylmethyl)benzamide
CID 31842594
N-cyclopropyl-4-methyl-3-[4-(thiophen-2-ylmethyl)piperazine-1-carbonyl]benzenesulfonamide
CID 30536533
3-(cyclopropylsulfamoyl)-N-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 18114146
5-(cyclopropylsulfamoyl)-N,2-dimethyl-N-[(4-methylphenyl)methyl]benzamide
CID 18170187
5-(dimethylsulfamoyl)-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18170670
5-(cyclopropylsulfamoyl)-2-methyl-N-(2-thiophen-3-ylethyl)benzamide
CID 46413675
5-[(4-fluorophenyl)sulfamoyl]-N,2-dimethyl-N-(thiophen-2-ylmethyl)benzamide
CID 38561904
3-[4-(cyclopropylsulfamoyl)phenyl]-N-(2-thiophen-2-ylethyl)propanamide
CID 55569858
4-chloro-3-(cyclopropylsulfamoyl)-N-ethyl-N-(thiophen-2-ylmethyl)benzamide
CID 18163436
1-cyclopropyl-3-[5-(cyclopropylsulfamoyl)-2-methoxyphenyl]-1-(thiophen-2-ylmethyl)urea
CID 55698704
2-[cyclopropyl-[5-(cyclopropylsulfamoyl)-2-methylbenzoyl]amino]propanoic acid
CID 119202227

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide (CID 31840744) is 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)N(Cc1cccs1)Cc1cccs1.
What is the InChIKey of 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide?
The InChIKey is YOXXPUWTKBMATC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S3/c1-15-6-9-19(29(25,26)22-16-7-8-16)12-20(15)21(24)23(13-17-4-2-10-27-17)14-18-5-3-11-28-18/h2-6,9-12,16,22H,7-8,13-14H2,1H3.
What are the key properties of 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide?
5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide has a molecular weight of 446.62 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylsulfamoyl)-2-methyl-N,N-bis(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 31840744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).