N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide

C21H20N2O3S2 — CID 53101507

IUPACN-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1
InChIInChI=1S/C21H20N2O3S2/c24-21(22-18-9-2-1-3-10-18)17-8-6-7-16(15-17)19-11-12-20(27-19)28(25,26)23-13-4-5-14-23/h1-3,6-12,15H,4-5,13-14H2,(H,22,24)
InChIKeyZZZTYHQTOZTEMA-UHFFFAOYSA-N
MW412.54 g/mol
LogP4.45
Rot. Bonds5

About N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide

N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101507) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101507
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC NameN-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESO=C(Nc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1
InChIInChI=1S/C21H20N2O3S2/c24-21(22-18-9-2-1-3-10-18)17-8-6-7-16(15-17)19-11-12-20(27-19)28(25,26)23-13-4-5-14-23/h1-3,6-12,15H,4-5,13-14H2,(H,22,24)
InChIKeyZZZTYHQTOZTEMA-UHFFFAOYSA-N
XLogP4.45
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.54
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101514
N-(2-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101498
N-[(4-fluorophenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101529
N-(4-ethoxyphenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101562
N-[(3-methylphenyl)methyl]-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101533
N-(3-chloro-4-fluorophenyl)-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101574
N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101340
3-[(3-piperidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 3242230
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
3-(5-morpholin-4-ylsulfonylthiophen-2-yl)-N-[(2R)-4-phenylbutan-2-yl]benzamide
CID 95082138
N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101331
N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101450

Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide (CID 53101507) is N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide is O=C(Nc1ccccc1)c1cccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)c1.
What is the InChIKey of N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is ZZZTYHQTOZTEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c24-21(22-18-9-2-1-3-10-18)17-8-6-7-16(15-17)19-11-12-20(27-19)28(25,26)23-13-4-5-14-23/h1-3,6-12,15H,4-5,13-14H2,(H,22,24).
What are the key properties of N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 412.54 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).