N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide

C22H22N2O3S2 — CID 53101340

IUPACN-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C22H22N2O3S2/c1-16-6-2-3-7-19(16)23-22(25)18-10-8-17(9-11-18)20-12-13-21(28-20)29(26,27)24-14-4-5-15-24/h2-3,6-13H,4-5,14-15H2,1H3,(H,23,25)
InChIKeyPYJWWNUPHWBQFM-UHFFFAOYSA-N
MW426.56 g/mol
LogP4.76
Rot. Bonds5

About N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide

N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101340) has the molecular formula C22H22N2O3S2 and a molecular weight of 426.56 g/mol. Its IUPAC name is N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101340
Molecular FormulaC22H22N2O3S2
Molecular Weight426.56 g/mol
Exact Mass426.11
IUPAC NameN-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESCc1ccccc1NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C22H22N2O3S2/c1-16-6-2-3-7-19(16)23-22(25)18-10-8-17(9-11-18)20-12-13-21(28-20)29(26,27)24-14-4-5-15-24/h2-3,6-13H,4-5,14-15H2,1H3,(H,23,25)
InChIKeyPYJWWNUPHWBQFM-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.56
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101498
N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101331
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
N-[3-(N-methylanilino)propyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101357
N-[(4-chlorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101368
N-(4-fluorophenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101514
ethane;4-methyl-N-(2-methylphenyl)benzamide
CID 145337643
N-(2,4-dimethoxyphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101455
N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101450
N-(2-ethylphenyl)-5-pyrrolidin-1-ylsulfonylthiophene-2-carboxamide
CID 53066353
N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101399

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide (CID 53101340) is N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide is Cc1ccccc1NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1.
What is the InChIKey of N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is PYJWWNUPHWBQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S2/c1-16-6-2-3-7-19(16)23-22(25)18-10-8-17(9-11-18)20-12-13-21(28-20)29(26,27)24-14-4-5-15-24/h2-3,6-13H,4-5,14-15H2,1H3,(H,23,25).
What are the key properties of N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 426.56 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).