3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide

C24H37N3O6S — CID 3206894

IUPAC3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC2CCCO2)C(C(=O)NCC2CCCO2)C(C)C)cc1
InChIInChI=1S/C24H37N3O6S/c1-17(2)23(24(29)25-14-19-6-4-12-32-19)27(16-20-7-5-13-33-20)22(28)15-26-34(30,31)21-10-8-18(3)9-11-21/h8-11,17,19-20,23,26H,4-7,12-16H2,1-3H3,(H,25,29)
InChIKeyAKORCAMHXUNJMK-UHFFFAOYSA-N
MW495.64 g/mol
LogP1.60
Rot. Bonds11

About 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide

3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide (PubChem CID 3206894) has the molecular formula C24H37N3O6S and a molecular weight of 495.64 g/mol. Its IUPAC name is 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide.

Molecular Properties

Compound Name3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide
PubChem CID3206894
Molecular FormulaC24H37N3O6S
Molecular Weight495.64 g/mol
Exact Mass495.24
IUPAC Name3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N(CC2CCCO2)C(C(=O)NCC2CCCO2)C(C)C)cc1
InChIInChI=1S/C24H37N3O6S/c1-17(2)23(24(29)25-14-19-6-4-12-32-19)27(16-20-7-5-13-33-20)22(28)15-26-34(30,31)21-10-8-18(3)9-11-21/h8-11,17,19-20,23,26H,4-7,12-16H2,1-3H3,(H,25,29)
InChIKeyAKORCAMHXUNJMK-UHFFFAOYSA-N
XLogP1.60
TPSA114.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]butanamide
CID 124765244
N-tert-butyl-3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]butanamide
CID 3206890
2-[[2-(benzenesulfonamido)acetyl]-(furan-2-ylmethyl)amino]-3-methyl-N-(oxolan-2-ylmethyl)butanamide
CID 654223
N-(4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3206947
(2R)-N-cyclohexyl-2-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]-[[(2S)-oxolan-2-yl]methyl]amino]butanamide
CID 40624650
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-N-(oxolan-2-ylmethyl)acetamide
CID 113053462
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-[(4-methylphenyl)sulfonylamino]-N-(oxolan-2-ylmethyl)acetamide
CID 651872
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)acetamide
CID 2942219
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
2-[(4-chlorophenyl)sulfonylamino]-N-(2-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 3207132
2-(4-methylphenyl)-N-[4-[[(2S)-oxolan-2-yl]methylsulfamoyl]phenyl]acetamide
CID 1025737
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7453365

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide?
The IUPAC name of 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide (CID 3206894) is 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide.
What is the SMILES notation for 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide?
The canonical SMILES for 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide is Cc1ccc(S(=O)(=O)NCC(=O)N(CC2CCCO2)C(C(=O)NCC2CCCO2)C(C)C)cc1.
What is the InChIKey of 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide?
The InChIKey is AKORCAMHXUNJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O6S/c1-17(2)23(24(29)25-14-19-6-4-12-32-19)27(16-20-7-5-13-33-20)22(28)15-26-34(30,31)21-10-8-18(3)9-11-21/h8-11,17,19-20,23,26H,4-7,12-16H2,1-3H3,(H,25,29).
What are the key properties of 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide?
3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide has a molecular weight of 495.64 g/mol, XLogP of 1.60, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]-(oxolan-2-ylmethyl)amino]-N-(oxolan-2-ylmethyl)butanamide is sourced from PubChem (CID 3206894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).