N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide

C21H23N3O6S2 — CID 4968582

IUPACN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
SMILESCc1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H23N3O6S2/c1-16-4-2-6-20(14-16)32(28,29)22-12-11-21(25)24-17-7-9-19(10-8-17)31(26,27)23-15-18-5-3-13-30-18/h2-10,13-14,22-23H,11-12,15H2,1H3,(H,24,25)
InChIKeyBKNCJCSKGMISGL-UHFFFAOYSA-N
MW477.56 g/mol
LogP2.37
Rot. Bonds10

About N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide (PubChem CID 4968582) has the molecular formula C21H23N3O6S2 and a molecular weight of 477.56 g/mol. Its IUPAC name is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
PubChem CID4968582
Molecular FormulaC21H23N3O6S2
Molecular Weight477.56 g/mol
Exact Mass477.10
IUPAC NameN-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide
SMILESCc1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1
InChIInChI=1S/C21H23N3O6S2/c1-16-4-2-6-20(14-16)32(28,29)22-12-11-21(25)24-17-7-9-19(10-8-17)31(26,27)23-15-18-5-3-13-30-18/h2-10,13-14,22-23H,11-12,15H2,1H3,(H,24,25)
InChIKeyBKNCJCSKGMISGL-UHFFFAOYSA-N
XLogP2.37
TPSA134.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.56
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(furan-2-ylmethylsulfamoyl)phenyl]octanamide
CID 17147535
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]pentanamide
CID 51154986
2-(2,6-dimethyl-4-oxo-1-pyridinyl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]acetamide
CID 108806522
1-(3,5-dimethylphenyl)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]thiourea
CID 25039568
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 8615701
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 9203705
4-(2-ethoxyphenoxy)-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]butanamide
CID 29203647
N-(3,5-dimethylphenyl)-3-(furan-2-ylmethylsulfamoyl)benzamide
CID 26696313
3-bromo-N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-4-methylbenzamide
CID 17170937
3-[[benzyl(methyl)carbamoyl]amino]-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]propanamide
CID 56516173
N-[3-(furan-2-ylmethylsulfamoyl)phenyl]-3-(2-methoxyphenoxy)propanamide
CID 3532204
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-2-phenoxyacetamide
CID 652012

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide (CID 4968582) is N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide is Cc1cccc(S(=O)(=O)NCCC(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)c1.
What is the InChIKey of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide?
The InChIKey is BKNCJCSKGMISGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O6S2/c1-16-4-2-6-20(14-16)32(28,29)22-12-11-21(25)24-17-7-9-19(10-8-17)31(26,27)23-15-18-5-3-13-30-18/h2-10,13-14,22-23H,11-12,15H2,1H3,(H,24,25).
What are the key properties of N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide?
N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide has a molecular weight of 477.56 g/mol, XLogP of 2.37, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-ylmethylsulfamoyl)phenyl]-3-[(3-methylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 4968582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).