2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide

C23H31N3O4S — CID 99967406

IUPAC2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)cc1C
InChIInChI=1S/C23H31N3O4S/c1-18-15-21(9-10-22(18)30-3)31(28,29)26(16-19-7-5-4-6-8-19)17-23(27)24-20-11-13-25(2)14-12-20/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyBNQYTKBQYFIOCD-UHFFFAOYSA-N
MW445.59 g/mol
LogP2.40
Rot. Bonds8

About 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide

2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide (PubChem CID 99967406) has the molecular formula C23H31N3O4S and a molecular weight of 445.59 g/mol. Its IUPAC name is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide.

Molecular Properties

Compound Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
PubChem CID99967406
Molecular FormulaC23H31N3O4S
Molecular Weight445.59 g/mol
Exact Mass445.20
IUPAC Name2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)cc1C
InChIInChI=1S/C23H31N3O4S/c1-18-15-21(9-10-22(18)30-3)31(28,29)26(16-19-7-5-4-6-8-19)17-23(27)24-20-11-13-25(2)14-12-20/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,24,27)
InChIKeyBNQYTKBQYFIOCD-UHFFFAOYSA-N
XLogP2.40
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967556
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-cyclopropylacetamide
CID 1251344
N-benzyl-4-methoxy-3-methyl-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzenesulfonamide
CID 2224050
2-[(3-methylphenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967313
N-cyclopentyl-2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]acetamide
CID 92645415
2-[(4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967188
2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]-N-(1-methylpiperidin-4-yl)acetamide
CID 99967123
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-naphthalen-1-ylacetamide
CID 1263278
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 30401389
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(3-methoxyphenyl)acetamide
CID 5136984
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(2-hydroxyphenyl)methylideneamino]acetamide
CID 3895821
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide
CID 28546834

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide?
The IUPAC name of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide (CID 99967406) is 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide.
What is the SMILES notation for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide?
The canonical SMILES for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NC2CCN(C)CC2)Cc2ccccc2)cc1C.
What is the InChIKey of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide?
The InChIKey is BNQYTKBQYFIOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O4S/c1-18-15-21(9-10-22(18)30-3)31(28,29)26(16-19-7-5-4-6-8-19)17-23(27)24-20-11-13-25(2)14-12-20/h4-10,15,20H,11-14,16-17H2,1-3H3,(H,24,27).
What are the key properties of 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide?
2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide has a molecular weight of 445.59 g/mol, XLogP of 2.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-(1-methylpiperidin-4-yl)acetamide is sourced from PubChem (CID 99967406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).