N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide

C15H18N2O4S2 — CID 17424428

IUPACN-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccoc1
InChIInChI=1S/C15H18N2O4S2/c18-15(12-6-9-21-11-12)16-10-13-4-5-14(22-13)23(19,20)17-7-2-1-3-8-17/h4-6,9,11H,1-3,7-8,10H2,(H,16,18)
InChIKeyDBNRTYXQBPMVLT-UHFFFAOYSA-N
MW354.45 g/mol
LogP2.45
Rot. Bonds5

About N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide

N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide (PubChem CID 17424428) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide
PubChem CID17424428
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC NameN-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccoc1
InChIInChI=1S/C15H18N2O4S2/c18-15(12-6-9-21-11-12)16-10-13-4-5-14(22-13)23(19,20)17-7-2-1-3-8-17/h4-6,9,11H,1-3,7-8,10H2,(H,16,18)
InChIKeyDBNRTYXQBPMVLT-UHFFFAOYSA-N
XLogP2.45
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-fluorobenzamide
CID 53112444
4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17436138
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-cyanobenzamide
CID 53112426
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 26061202
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 17481811
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]furan-3-carboxamide
CID 46450029
3-chloro-4-fluoro-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112330
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446
3-methyl-4-nitro-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 41297055
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-(4-methylphenyl)acetamide
CID 53112471
5-ethyl-4-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 46593431

Frequently Asked Questions

What is the IUPAC name of N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide?
The IUPAC name of N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide (CID 17424428) is N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide.
What is the SMILES notation for N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide?
The canonical SMILES for N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1ccoc1.
What is the InChIKey of N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide?
The InChIKey is DBNRTYXQBPMVLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c18-15(12-6-9-21-11-12)16-10-13-4-5-14(22-13)23(19,20)17-7-2-1-3-8-17/h4-6,9,11H,1-3,7-8,10H2,(H,16,18).
What are the key properties of N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide?
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide is sourced from PubChem (CID 17424428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).