2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide

C21H30N2O5S — CID 86819602

IUPAC2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C(C)C)C(C)(C)O)Cc2ccco2)cc1
InChIInChI=1S/C21H30N2O5S/c1-15(2)20(21(4,5)25)22-19(24)14-23(13-17-7-6-12-28-17)29(26,27)18-10-8-16(3)9-11-18/h6-12,15,20,25H,13-14H2,1-5H3,(H,22,24)/t20-/m0/s1
InChIKeyMGGOPLVQOOENLF-FQEVSTJZSA-N
MW422.55 g/mol
LogP2.69
Rot. Bonds9

About 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide

2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide (PubChem CID 86819602) has the molecular formula C21H30N2O5S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide.

Molecular Properties

Compound Name2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
PubChem CID86819602
Molecular FormulaC21H30N2O5S
Molecular Weight422.55 g/mol
Exact Mass422.19
IUPAC Name2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C(C)C)C(C)(C)O)Cc2ccco2)cc1
InChIInChI=1S/C21H30N2O5S/c1-15(2)20(21(4,5)25)22-19(24)14-23(13-17-7-6-12-28-17)29(26,27)18-10-8-16(3)9-11-18/h6-12,15,20,25H,13-14H2,1-5H3,(H,22,24)/t20-/m0/s1
InChIKeyMGGOPLVQOOENLF-FQEVSTJZSA-N
XLogP2.69
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]acetamide
CID 7999685
N-(4-tert-butylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 2415373
N-[2-[[2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetyl]amino]ethyl]furan-2-carboxamide
CID 24683473
N-(5-fluoro-2-methylphenyl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 9211703
2-[furan-2-ylmethyl-(3-methylphenyl)sulfonylamino]-N-(4-methylphenyl)acetamide
CID 4787933
N-(furan-2-ylmethyl)-4-methyl-N-[2-oxo-2-(2-propan-2-ylimino-1-pyridinyl)ethyl]benzenesulfonamide
CID 24618968
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]acetamide
CID 24567615
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-(3-phenylmethoxypropyl)acetamide
CID 24682599
2-[benzyl-(4-methylphenyl)sulfonylamino]-N-propan-2-ylacetamide
CID 3114020
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]acetamide
CID 31039784
3-[(4-bromophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-(1-phenylethyl)propanamide
CID 42657152
2-[(6-chloro-3-pyridinyl)sulfonyl-(furan-2-ylmethyl)amino]-N-[(4-methylphenyl)methyl]acetamide
CID 24653336

Frequently Asked Questions

What is the IUPAC name of 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide?
The IUPAC name of 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide (CID 86819602) is 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide.
What is the SMILES notation for 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide?
The canonical SMILES for 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)N[C@@H](C(C)C)C(C)(C)O)Cc2ccco2)cc1.
What is the InChIKey of 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide?
The InChIKey is MGGOPLVQOOENLF-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30N2O5S/c1-15(2)20(21(4,5)25)22-19(24)14-23(13-17-7-6-12-28-17)29(26,27)18-10-8-16(3)9-11-18/h6-12,15,20,25H,13-14H2,1-5H3,(H,22,24)/t20-/m0/s1.
What are the key properties of 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide?
2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide has a molecular weight of 422.55 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[furan-2-ylmethyl-(4-methylphenyl)sulfonylamino]-N-[(3S)-2-hydroxy-2,4-dimethylpentan-3-yl]acetamide is sourced from PubChem (CID 86819602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).