N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide

C23H23ClN2O4S2 — CID 112803797

IUPACN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1occc1CSc1ccccc1
InChIInChI=1S/C23H23ClN2O4S2/c24-20-10-9-18(15-21(20)32(28,29)26-12-5-2-6-13-26)25-23(27)22-17(11-14-30-22)16-31-19-7-3-1-4-8-19/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2,(H,25,27)
InChIKeyVUSPEFJRKGKUNM-UHFFFAOYSA-N
MW491.03 g/mol
LogP5.65
Rot. Bonds7

About N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 112803797) has the molecular formula C23H23ClN2O4S2 and a molecular weight of 491.03 g/mol. Its IUPAC name is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID112803797
Molecular FormulaC23H23ClN2O4S2
Molecular Weight491.03 g/mol
Exact Mass490.08
IUPAC NameN-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1occc1CSc1ccccc1
InChIInChI=1S/C23H23ClN2O4S2/c24-20-10-9-18(15-21(20)32(28,29)26-12-5-2-6-13-26)25-23(27)22-17(11-14-30-22)16-31-19-7-3-1-4-8-19/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2,(H,25,27)
InChIKeyVUSPEFJRKGKUNM-UHFFFAOYSA-N
XLogP5.65
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.03
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(phenylsulfanylmethyl)-N-[(3-piperidin-1-ylsulfonylphenyl)methyl]furan-2-carboxamide
CID 60621795
4-chloro-3-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 126356549
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-3-methyl-1-benzofuran-2-carboxamide
CID 16546118
N-[3-[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]phenyl]pyridine-4-carboxamide
CID 78861185
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2-methylsulfanylbenzamide
CID 112789663
2-chloro-5-morpholin-4-ylsulfonyl-N-[4-(phenylsulfanylmethyl)phenyl]benzamide
CID 28590683
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-1-methylpyrrole-2-carboxamide
CID 9103361
N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134046258
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-cyanobenzamide
CID 9328320
N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydro-1,4-dioxine-5-carboxamide
CID 24686545
(2S)-2-(benzenesulfonamido)-N-(4-chloro-3-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 55942709
N-[4-(4-chloro-3-pyrrolidin-1-ylsulfonylanilino)-4-oxobutyl]benzamide
CID 55364568

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 112803797) is N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide is O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1occc1CSc1ccccc1.
What is the InChIKey of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is VUSPEFJRKGKUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S2/c24-20-10-9-18(15-21(20)32(28,29)26-12-5-2-6-13-26)25-23(27)22-17(11-14-30-22)16-31-19-7-3-1-4-8-19/h1,3-4,7-11,14-15H,2,5-6,12-13,16H2,(H,25,27).
What are the key properties of N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 491.03 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-piperidin-1-ylsulfonylphenyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 112803797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).