N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide

C23H33N3O5S — CID 3206911

IUPACN-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)C(C(=O)NC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C23H33N3O5S/c1-16(2)21(22(28)25-23(4,5)6)26(15-18-8-7-13-31-18)20(27)14-24-32(29,30)19-11-9-17(3)10-12-19/h7-13,16,21,24H,14-15H2,1-6H3,(H,25,28)
InChIKeyNYCOECACPHSNFL-UHFFFAOYSA-N
MW463.60 g/mol
LogP2.83
Rot. Bonds9

About N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide

N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide (PubChem CID 3206911) has the molecular formula C23H33N3O5S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide
PubChem CID3206911
Molecular FormulaC23H33N3O5S
Molecular Weight463.60 g/mol
Exact Mass463.21
IUPAC NameN-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)C(C(=O)NC(C)(C)C)C(C)C)cc1
InChIInChI=1S/C23H33N3O5S/c1-16(2)21(22(28)25-23(4,5)6)26(15-18-8-7-13-31-18)20(27)14-24-32(29,30)19-11-9-17(3)10-12-19/h7-13,16,21,24H,14-15H2,1-6H3,(H,25,28)
InChIKeyNYCOECACPHSNFL-UHFFFAOYSA-N
XLogP2.83
TPSA108.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methyl-N-(2-methylbutan-2-yl)butanamide
CID 3206914
N-tert-butyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide
CID 3206890
N-[1-(tert-butylamino)-3-methyl-1-oxobutan-2-yl]-N-(furan-2-ylmethyl)benzamide
CID 132988725
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 654223
2-[[2-[(4-chlorophenyl)sulfonylamino]acetyl]-(furan-2-ylmethyl)amino]-N-(2-methylbutan-2-yl)pentanamide
CID 3207116
2-[(4-chlorophenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(4-methylphenyl)acetamide
CID 1167420
[(2R)-1-(furan-2-ylmethylamino)-1-oxopropan-2-yl] 2-[(4-methylphenyl)sulfonylamino]acetate
CID 8925134
2-(2-fluoro-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)-N-(furan-2-ylmethyl)butanamide
CID 3206939
[2-[furan-2-ylmethyl(methyl)amino]-2-oxoethyl] (2S)-3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate
CID 51899633
3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide
CID 3206894
2-(N-[2-(benzenesulfonamido)acetyl]-4-fluoroanilino)-N-(furan-2-ylmethyl)-3-methylbutanamide
CID 3206863
N-[2-[[(1S)-2-(tert-butylamino)-2-oxo-1-(4-propan-2-ylphenyl)ethyl]-(furan-2-ylmethyl)amino]-2-oxoethyl]furan-2-carboxamide
CID 25315033

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide?
The IUPAC name of N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide (CID 3206911) is N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide.
What is the SMILES notation for N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide?
The canonical SMILES for N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide is Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)C(C(=O)NC(C)(C)C)C(C)C)cc1.
What is the InChIKey of N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide?
The InChIKey is NYCOECACPHSNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N3O5S/c1-16(2)21(22(28)25-23(4,5)6)26(15-18-8-7-13-31-18)20(27)14-24-32(29,30)19-11-9-17(3)10-12-19/h7-13,16,21,24H,14-15H2,1-6H3,(H,25,28).
What are the key properties of N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide?
N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide has a molecular weight of 463.60 g/mol, XLogP of 2.83, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[furan-2-ylmethyl-[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]-3-methylbutanamide is sourced from PubChem (CID 3206911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).