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

C18H22N2O3S2 — CID 53101331

IUPACN-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-13(2)19-18(21)15-7-5-14(6-8-15)16-9-10-17(24-16)25(22,23)20-11-3-4-12-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeySTMXNUDDWCRUDI-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.34
Rot. Bonds5

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

N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide (PubChem CID 53101331) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
PubChem CID53101331
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
SMILESCC(C)NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-13(2)19-18(21)15-7-5-14(6-8-15)16-9-10-17(24-16)25(22,23)20-11-3-4-12-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21)
InChIKeySTMXNUDDWCRUDI-UHFFFAOYSA-N
XLogP3.34
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylphenyl)-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101340
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082109
N-[(4-chlorophenyl)methyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101368
N-(4-methylphenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101444
N-cyclohexyl-N-methyl-4-(5-piperidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101399
N-[3-(N-methylanilino)propyl]-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101357
N-[(1S)-1-(4-methylphenyl)ethyl]-3-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082134
N-phenyl-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101507
N-(2-methylphenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101498
3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 46385925
N-(4-chlorophenyl)-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 53101450
N-(4-fluorophenyl)-3-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide
CID 53101514

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The IUPAC name of N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide (CID 53101331) is N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide.
What is the SMILES notation for N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The canonical SMILES for N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide is CC(C)NC(=O)c1ccc(-c2ccc(S(=O)(=O)N3CCCC3)s2)cc1.
What is the InChIKey of N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
The InChIKey is STMXNUDDWCRUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13(2)19-18(21)15-7-5-14(6-8-15)16-9-10-17(24-16)25(22,23)20-11-3-4-12-20/h5-10,13H,3-4,11-12H2,1-2H3,(H,19,21).
What are the key properties of N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide?
N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)benzamide is sourced from PubChem (CID 53101331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).