N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide

C16H16Cl2N2O4S — CID 4793403

IUPACN-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CC1
InChIInChI=1S/C16H16Cl2N2O4S/c17-14-6-5-13(8-15(14)18)25(22,23)20(9-12-2-1-7-24-12)10-16(21)19-11-3-4-11/h1-2,5-8,11H,3-4,9-10H2,(H,19,21)
InChIKeyMXKURWNXQKUEOQ-UHFFFAOYSA-N
MW403.29 g/mol
LogP3.06
Rot. Bonds7

About N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide

N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide (PubChem CID 4793403) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
PubChem CID4793403
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC NameN-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide
SMILESO=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CC1
InChIInChI=1S/C16H16Cl2N2O4S/c17-14-6-5-13(8-15(14)18)25(22,23)20(9-12-2-1-7-24-12)10-16(21)19-11-3-4-11/h1-2,5-8,11H,3-4,9-10H2,(H,19,21)
InChIKeyMXKURWNXQKUEOQ-UHFFFAOYSA-N
XLogP3.06
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 25498286
N-cyclopentyl-2-[furan-2-ylmethyl(methylsulfonyl)amino]acetamide
CID 113150243
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(2-methylcyclohexyl)acetamide
CID 42971231
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 1251344
2-[benzenesulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-cycloheptylacetamide
CID 126026477
N-cyclopropyl-4-[[(3,5-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679300
N-cyclopropyl-4-[[(3,4-dimethylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 24679289
3,4-dichloro-N-(furan-2-ylmethyl)-N-[(4-nitrophenyl)methyl]benzenesulfonamide
CID 4792591
2-[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetyl chloride
CID 50894442
2-[bis(furan-2-ylmethyl)amino]-N-cycloheptylacetamide
CID 27118894
N-cyclopropyl-2-[(2,4-dichlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 1331653
2-[(4-bromophenyl)sulfonyl-[(2,4-dichlorophenyl)methyl]amino]-N-cyclopropylacetamide
CID 126371963

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The IUPAC name of N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide (CID 4793403) is N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide is O=C(CN(Cc1ccco1)S(=O)(=O)c1ccc(Cl)c(Cl)c1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
The InChIKey is MXKURWNXQKUEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c17-14-6-5-13(8-15(14)18)25(22,23)20(9-12-2-1-7-24-12)10-16(21)19-11-3-4-11/h1-2,5-8,11H,3-4,9-10H2,(H,19,21).
What are the key properties of N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide?
N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide has a molecular weight of 403.29 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[(3,4-dichlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]acetamide is sourced from PubChem (CID 4793403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).