N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

C19H23ClN2O4S — CID 55632155

IUPACN-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O4S/c1-2-16(14-7-6-8-15(20)13-14)21-19(23)17-9-10-18(26-17)27(24,25)22-11-4-3-5-12-22/h6-10,13,16H,2-5,11-12H2,1H3,(H,21,23)
InChIKeyUXXMDJXLKQBKRQ-UHFFFAOYSA-N
MW410.92 g/mol
LogP3.99
Rot. Bonds6

About N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide

N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (PubChem CID 55632155) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
PubChem CID55632155
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC NameN-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide
SMILESCCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1cccc(Cl)c1
InChIInChI=1S/C19H23ClN2O4S/c1-2-16(14-7-6-8-15(20)13-14)21-19(23)17-9-10-18(26-17)27(24,25)22-11-4-3-5-12-22/h6-10,13,16H,2-5,11-12H2,1H3,(H,21,23)
InChIKeyUXXMDJXLKQBKRQ-UHFFFAOYSA-N
XLogP3.99
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(3,4-dimethoxyphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-carbonyl)amino]propanoate
CID 46546810
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CID 94028099
N-[1-(3-chlorophenyl)propyl]furan-3-carboxamide
CID 75871852
1-[1-(3-chlorophenyl)propyl]-3-[3-[(4-methyl-1,4-diazepan-1-yl)sulfonyl]phenyl]urea
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N-[1-(3-chlorophenyl)propyl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 55583558
5-chloro-N-[1-(3-sulfamoylphenyl)propyl]furan-2-carboxamide
CID 56826904
2-methyl-N-[(1S)-1-phenylpropyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 99130880
N-[1-(3-chlorophenyl)propyl]piperidin-1-amine
CID 83006471
5-piperidin-1-ylsulfonyl-N-(2-piperidin-1-ylsulfonylphenyl)furan-2-carboxamide
CID 55920724
N-[(1S)-1-phenylpropyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 28569285
N-[1-(3-chlorophenyl)propyl]-4-(propan-2-ylsulfamoyl)benzamide
CID 55583237
N-(1-phenylpropyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43875835

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide (CID 55632155) is N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is CCC(NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
The InChIKey is UXXMDJXLKQBKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-2-16(14-7-6-8-15(20)13-14)21-19(23)17-9-10-18(26-17)27(24,25)22-11-4-3-5-12-22/h6-10,13,16H,2-5,11-12H2,1H3,(H,21,23).
What are the key properties of N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide?
N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide has a molecular weight of 410.92 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-5-piperidin-1-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 55632155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).