4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide

C19H26ClN3O5S — CID 170069559

IUPAC4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide
SMILESC=CS(=O)(=O)NC1CCN(C(=O)COc2cc(C(=O)NCC)c(C)cc2Cl)CC1
InChIInChI=1S/C19H26ClN3O5S/c1-4-21-19(25)15-11-17(16(20)10-13(15)3)28-12-18(24)23-8-6-14(7-9-23)22-29(26,27)5-2/h5,10-11,14,22H,2,4,6-9,12H2,1,3H3,(H,21,25)
InChIKeyQKPOHPOCKBPNPV-UHFFFAOYSA-N
MW443.95 g/mol
LogP1.83
Rot. Bonds8

About 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide

4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide (PubChem CID 170069559) has the molecular formula C19H26ClN3O5S and a molecular weight of 443.95 g/mol. Its IUPAC name is 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide.

Molecular Properties

Compound Name4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide
PubChem CID170069559
Molecular FormulaC19H26ClN3O5S
Molecular Weight443.95 g/mol
Exact Mass443.13
IUPAC Name4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide
SMILESC=CS(=O)(=O)NC1CCN(C(=O)COc2cc(C(=O)NCC)c(C)cc2Cl)CC1
InChIInChI=1S/C19H26ClN3O5S/c1-4-21-19(25)15-11-17(16(20)10-13(15)3)28-12-18(24)23-8-6-14(7-9-23)22-29(26,27)5-2/h5,10-11,14,22H,2,4,6-9,12H2,1,3H3,(H,21,25)
InChIKeyQKPOHPOCKBPNPV-UHFFFAOYSA-N
XLogP1.83
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.95
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(2-chloro-5-iodo-4-methylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 170069508
N-[1-[2-(5-bromo-2-chloro-4-methylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 170069523
2,4-dichloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-(2-hydroxyethyl)benzamide
CID 123750889
N-[1-[2-(2,4-dichloro-5-ethylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 157238457
N-[1-[2-(4,5-dichloro-2-ethylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 71815890
N-[1-[2-(2-bromo-4-methylphenoxy)acetyl]piperidin-4-yl]ethenesulfonamide
CID 170069452
N-[1-[2-(4-chloro-5-methoxy-2-methylanilino)acetyl]piperidin-4-yl]ethenesulfonamide
CID 123618131
2,4-dichloro-5-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethoxy]benzamide
CID 138580411
1-[4-(methylamino)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone
CID 119563145
N-[1-[3-(2,4-dichlorophenyl)propanoyl]piperidin-4-yl]ethenesulfonamide
CID 149101841
N-[1-[2-(2-chlorophenoxy)acetyl]piperidin-4-yl]propane-1-sulfonamide
CID 34355028
1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-4-(dimethylsulfamoylamino)piperidine
CID 108565003

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide?
The IUPAC name of 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide (CID 170069559) is 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide.
What is the SMILES notation for 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide?
The canonical SMILES for 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide is C=CS(=O)(=O)NC1CCN(C(=O)COc2cc(C(=O)NCC)c(C)cc2Cl)CC1.
What is the InChIKey of 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide?
The InChIKey is QKPOHPOCKBPNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN3O5S/c1-4-21-19(25)15-11-17(16(20)10-13(15)3)28-12-18(24)23-8-6-14(7-9-23)22-29(26,27)5-2/h5,10-11,14,22H,2,4,6-9,12H2,1,3H3,(H,21,25).
What are the key properties of 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide?
4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide has a molecular weight of 443.95 g/mol, XLogP of 1.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[2-[4-(ethenylsulfonylamino)piperidin-1-yl]-2-oxoethoxy]-N-ethyl-2-methylbenzamide is sourced from PubChem (CID 170069559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).