N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide

C16H18N2O3S2 — CID 17440789

IUPACN-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccc1
InChIInChI=1S/C16H18N2O3S2/c19-16(13-6-2-1-3-7-13)17-12-14-8-9-15(22-14)23(20,21)18-10-4-5-11-18/h1-3,6-9H,4-5,10-12H2,(H,17,19)
InChIKeyWDNVKHWXONTXPJ-UHFFFAOYSA-N
MW350.47 g/mol
LogP2.46
Rot. Bonds5

About N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide

N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide (PubChem CID 17440789) has the molecular formula C16H18N2O3S2 and a molecular weight of 350.47 g/mol. Its IUPAC name is N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
PubChem CID17440789
Molecular FormulaC16H18N2O3S2
Molecular Weight350.47 g/mol
Exact Mass350.08
IUPAC NameN-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccc1
InChIInChI=1S/C16H18N2O3S2/c19-16(13-6-2-1-3-7-13)17-12-14-8-9-15(22-14)23(20,21)18-10-4-5-11-18/h1-3,6-9H,4-5,10-12H2,(H,17,19)
InChIKeyWDNVKHWXONTXPJ-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.47
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53112444
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 26061202
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide
CID 17424428
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-cyanobenzamide
CID 53112426
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446
N-[[5-[4-(oxolane-2-carbonyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 2815642
3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330
N-[[5-[4-(4-carbamimidoylbenzoyl)piperazin-1-yl]sulfonylthiophen-2-yl]methyl]benzamide
CID 18382304
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 17481811
(E)-3-(2-chlorophenyl)-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]prop-2-enamide
CID 41310223
3-chloro-4-ethoxy-5-methoxy-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41311974

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide?
The IUPAC name of N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide (CID 17440789) is N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide?
The canonical SMILES for N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide is O=C(NCc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccccc1.
What is the InChIKey of N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide?
The InChIKey is WDNVKHWXONTXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S2/c19-16(13-6-2-1-3-7-13)17-12-14-8-9-15(22-14)23(20,21)18-10-4-5-11-18/h1-3,6-9H,4-5,10-12H2,(H,17,19).
What are the key properties of N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide?
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide has a molecular weight of 350.47 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide is sourced from PubChem (CID 17440789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).