2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide

C22H33N3O4S — CID 143170891

IUPAC2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide
SMILESC=Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1NC(C)C(=O)NCC1CCCO1
InChIInChI=1S/C22H33N3O4S/c1-4-18-14-20(30(27,28)25-11-9-16(2)10-12-25)7-8-21(18)24-17(3)22(26)23-15-19-6-5-13-29-19/h4,7-8,14,16-17,19,24H,1,5-6,9-13,15H2,2-3H3,(H,23,26)
InChIKeyGRKLOEKHYLDWKS-UHFFFAOYSA-N
MW435.59 g/mol
LogP2.85
Rot. Bonds8

About 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide

2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide (PubChem CID 143170891) has the molecular formula C22H33N3O4S and a molecular weight of 435.59 g/mol. Its IUPAC name is 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide.

Molecular Properties

Compound Name2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide
PubChem CID143170891
Molecular FormulaC22H33N3O4S
Molecular Weight435.59 g/mol
Exact Mass435.22
IUPAC Name2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide
SMILESC=Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1NC(C)C(=O)NCC1CCCO1
InChIInChI=1S/C22H33N3O4S/c1-4-18-14-20(30(27,28)25-11-9-16(2)10-12-25)7-8-21(18)24-17(3)22(26)23-15-19-6-5-13-29-19/h4,7-8,14,16-17,19,24H,1,5-6,9-13,15H2,2-3H3,(H,23,26)
InChIKeyGRKLOEKHYLDWKS-UHFFFAOYSA-N
XLogP2.85
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.59
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-methylpiperidin-1-yl)sulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2953675
2-[7-(4-methylpiperidin-1-yl)sulfonyl-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 53087930
4-(4-methylpiperidin-1-yl)-3-(4-methylpiperidin-1-yl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 92874908
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 8691035
5-(azepan-1-ylsulfonyl)-2-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 43882539
2-methyl-5-morpholin-4-ylsulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7379557
2-methyl-5-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2994738
3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 2963679
4-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7436349
N-[[(2R)-oxolan-2-yl]methyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 8819159
N-(2-methylpropylcarbamoyl)-2-[5-morpholin-4-ylsulfonyl-2-(oxolan-2-ylmethylamino)anilino]acetamide
CID 55365412
1-(4-methylsulfanylphenyl)sulfonyl-N-(oxolan-2-ylmethyl)piperidine-4-carboxamide
CID 6473156

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide?
The IUPAC name of 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide (CID 143170891) is 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide.
What is the SMILES notation for 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide?
The canonical SMILES for 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide is C=Cc1cc(S(=O)(=O)N2CCC(C)CC2)ccc1NC(C)C(=O)NCC1CCCO1.
What is the InChIKey of 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide?
The InChIKey is GRKLOEKHYLDWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N3O4S/c1-4-18-14-20(30(27,28)25-11-9-16(2)10-12-25)7-8-21(18)24-17(3)22(26)23-15-19-6-5-13-29-19/h4,7-8,14,16-17,19,24H,1,5-6,9-13,15H2,2-3H3,(H,23,26).
What are the key properties of 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide?
2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide has a molecular weight of 435.59 g/mol, XLogP of 2.85, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethenyl-4-(4-methylpiperidin-1-yl)sulfonylanilino]-N-(oxolan-2-ylmethyl)propanamide is sourced from PubChem (CID 143170891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).