2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide

C16H20N2O4S — CID 33429076

IUPAC2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H20N2O4S/c1-11-4-6-14(7-5-11)23(20,21)18-9-8-17-16(19)15-10-12(2)22-13(15)3/h4-7,10,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyHYPGOEQCSRZHBU-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.91
Rot. Bonds6

About 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide (PubChem CID 33429076) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
PubChem CID33429076
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C16H20N2O4S/c1-11-4-6-14(7-5-11)23(20,21)18-9-8-17-16(19)15-10-12(2)22-13(15)3/h4-7,10,18H,8-9H2,1-3H3,(H,17,19)
InChIKeyHYPGOEQCSRZHBU-UHFFFAOYSA-N
XLogP1.91
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]benzamide
CID 33340835
3,4-dihydroxy-7-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-oxocyclohepta-1,3,6-triene-1-carboxamide
CID 167623126
2-chloro-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-5-nitrobenzamide
CID 33340755
N-[2-[(2-chloroacetyl)amino]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 166429368
1-(4-methoxyphenyl)-2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]pyrrole-3-carboxamide
CID 35353199
2-methyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-nitrobenzamide
CID 33338693
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
5-methyl-N-[3-[(4-methylphenyl)sulfonylamino]propyl]-1,3-oxazole-4-carboxamide
CID 74245279
N-[2-[2-(2,5-dimethylfuran-3-carbonyl)hydrazinyl]-2-oxoethyl]-2-[(3,4-dimethylphenyl)sulfonylamino]acetamide
CID 2426820
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698
4-(methylamino)-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]butanamide
CID 119704161
N-[2-(furan-2-carbonylamino)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 30797202

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide (CID 33429076) is 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide is Cc1ccc(S(=O)(=O)NCCNC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide?
The InChIKey is HYPGOEQCSRZHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-4-6-14(7-5-11)23(20,21)18-9-8-17-16(19)15-10-12(2)22-13(15)3/h4-7,10,18H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide has a molecular weight of 336.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[(4-methylphenyl)sulfonylamino]ethyl]furan-3-carboxamide is sourced from PubChem (CID 33429076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).