5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide

C17H19ClN2O4S — CID 175336122

IUPAC5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide
SMILESCC=CS(=O)(=O)NCCN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClN2O4S/c1-3-12-25(22,23)19-10-11-20(2)17(21)16-9-8-15(24-16)13-4-6-14(18)7-5-13/h3-9,12,19H,10-11H2,1-2H3
InChIKeyBTKCKKKDRVPSCE-UHFFFAOYSA-N
MW382.87 g/mol
LogP3.12
Rot. Bonds7

About 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide

5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide (PubChem CID 175336122) has the molecular formula C17H19ClN2O4S and a molecular weight of 382.87 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide
PubChem CID175336122
Molecular FormulaC17H19ClN2O4S
Molecular Weight382.87 g/mol
Exact Mass382.08
IUPAC Name5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide
SMILESCC=CS(=O)(=O)NCCN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1
InChIInChI=1S/C17H19ClN2O4S/c1-3-12-25(22,23)19-10-11-20(2)17(21)16-9-8-15(24-16)13-4-6-14(18)7-5-13/h3-9,12,19H,10-11H2,1-2H3
InChIKeyBTKCKKKDRVPSCE-UHFFFAOYSA-N
XLogP3.12
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-[2-(diethylamino)ethyl]furan-2-carboxamide
CID 29368987
5-(4-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 24978921
5-(3,4-dimethylphenyl)-N-(2-hydroxyethyl)-N-methylfuran-2-carboxamide
CID 94282373
5-(4-chlorophenyl)-N-[2-(2-methylpropanoylamino)ethyl]furan-2-carboxamide
CID 24503555
(E)-2-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]ethenesulfonamide
CID 8716803
5-(4-chlorophenyl)-N-hydroxyfuran-2-carboxamide
CID 91678227
5-(4-chlorophenyl)-N-[2-(ethylamino)-2-oxoethyl]furan-2-carboxamide
CID 18145739
(E)-3-[5-(4-chlorophenyl)furan-2-yl]but-2-enoic acid
CID 82543970
N,5-bis(4-chlorophenyl)furan-2-carboxamide
CID 781867
5-chloro-N-(5-hydroxypentyl)-N-methylfuran-2-carboxamide
CID 107199927
5-(4-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]furan-2-carboxamide
CID 18161798
5-(4-acetylphenyl)-N-[(2-chlorophenyl)methyl]-N-methylfuran-2-carboxamide
CID 18111471

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide (CID 175336122) is 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide is CC=CS(=O)(=O)NCCN(C)C(=O)c1ccc(-c2ccc(Cl)cc2)o1.
What is the InChIKey of 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide?
The InChIKey is BTKCKKKDRVPSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O4S/c1-3-12-25(22,23)19-10-11-20(2)17(21)16-9-8-15(24-16)13-4-6-14(18)7-5-13/h3-9,12,19H,10-11H2,1-2H3.
What are the key properties of 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide?
5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide has a molecular weight of 382.87 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-methyl-N-[2-(prop-1-enylsulfonylamino)ethyl]furan-2-carboxamide is sourced from PubChem (CID 175336122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).