N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide

C25H29N3O6S — CID 652230

IUPACN-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1OC
InChIInChI=1S/C25H29N3O6S/c1-4-21(25(30)26-16-19-8-7-15-34-19)28(22-9-5-6-10-23(22)33-3)24(29)17-27-35(31,32)20-13-11-18(2)12-14-20/h5-15,21,27H,4,16-17H2,1-3H3,(H,26,30)
InChIKeyORUGLUZEYSOLKF-UHFFFAOYSA-N
MW499.59 g/mol
LogP3.00
Rot. Bonds11

About N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide

N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide (PubChem CID 652230) has the molecular formula C25H29N3O6S and a molecular weight of 499.59 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide
PubChem CID652230
Molecular FormulaC25H29N3O6S
Molecular Weight499.59 g/mol
Exact Mass499.18
IUPAC NameN-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide
SMILESCCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1OC
InChIInChI=1S/C25H29N3O6S/c1-4-21(25(30)26-16-19-8-7-15-34-19)28(22-9-5-6-10-23(22)33-3)24(29)17-27-35(31,32)20-13-11-18(2)12-14-20/h5-15,21,27H,4,16-17H2,1-3H3,(H,26,30)
InChIKeyORUGLUZEYSOLKF-UHFFFAOYSA-N
XLogP3.00
TPSA117.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.59
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide (CID 652230) is N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide is CCC(C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(C)cc1)c1ccccc1OC.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide?
The InChIKey is ORUGLUZEYSOLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O6S/c1-4-21(25(30)26-16-19-8-7-15-34-19)28(22-9-5-6-10-23(22)33-3)24(29)17-27-35(31,32)20-13-11-18(2)12-14-20/h5-15,21,27H,4,16-17H2,1-3H3,(H,26,30).
What are the key properties of N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide?
N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide has a molecular weight of 499.59 g/mol, XLogP of 3.00, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(2-methoxy-N-[2-[(4-methylphenyl)sulfonylamino]acetyl]anilino)butanamide is sourced from PubChem (CID 652230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).