2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide

C16H20N2O4S — CID 3262204

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H20N2O4S/c1-11-6-7-12(2)15(9-11)23(20,21)18-13(3)16(19)17-10-14-5-4-8-22-14/h4-9,13,18H,10H2,1-3H3,(H,17,19)
InChIKeyYCTQHAATFOYQNT-UHFFFAOYSA-N
MW336.41 g/mol
LogP1.88
Rot. Bonds6

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide (PubChem CID 3262204) has the molecular formula C16H20N2O4S and a molecular weight of 336.41 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
PubChem CID3262204
Molecular FormulaC16H20N2O4S
Molecular Weight336.41 g/mol
Exact Mass336.11
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccco2)c1
InChIInChI=1S/C16H20N2O4S/c1-11-6-7-12(2)15(9-11)23(20,21)18-13(3)16(19)17-10-14-5-4-8-22-14/h4-9,13,18H,10H2,1-3H3,(H,17,19)
InChIKeyYCTQHAATFOYQNT-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]propanamide
CID 7476998
(2S)-2-[(2,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-4-methylpentanamide
CID 110351292
(2S)-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 110348354
(2R)-N-(furan-2-ylmethyl)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]propanamide
CID 93480656
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide
CID 1093339
4-[(2,5-dimethylphenyl)sulfonylamino]-N-[2-(furan-2-ylmethylamino)-2-oxoethyl]benzamide
CID 24504865
2-(2-fluoro-5-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 43088873
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[2-[(2,5-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 32996069
(2R)-2-[3-(2,4-dimethylphenyl)propanoylamino]-N-(furan-2-ylmethyl)propanamide
CID 94812450
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2,5-dimethylbenzoate
CID 8535095
2-(3-bromo-4-methylanilino)-N-(furan-2-ylmethyl)propanamide
CID 63333822

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide (CID 3262204) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide is Cc1ccc(C)c(S(=O)(=O)NC(C)C(=O)NCc2ccco2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
The InChIKey is YCTQHAATFOYQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4S/c1-11-6-7-12(2)15(9-11)23(20,21)18-13(3)16(19)17-10-14-5-4-8-22-14/h4-9,13,18H,10H2,1-3H3,(H,17,19).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide has a molecular weight of 336.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)propanamide is sourced from PubChem (CID 3262204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).