2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

C21H20ClN3O4S — CID 1085400

IUPAC2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-29-19-9-11-20(12-10-19)30(27,28)25(18-7-5-16(22)6-8-18)15-21(26)24-14-17-4-2-3-13-23-17/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyUCHXXJNZENSNJY-UHFFFAOYSA-N
MW445.93 g/mol
LogP3.26
Rot. Bonds8

About 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide

2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 1085400) has the molecular formula C21H20ClN3O4S and a molecular weight of 445.93 g/mol. Its IUPAC name is 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
PubChem CID1085400
Molecular FormulaC21H20ClN3O4S
Molecular Weight445.93 g/mol
Exact Mass445.09
IUPAC Name2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C21H20ClN3O4S/c1-29-19-9-11-20(12-10-19)30(27,28)25(18-7-5-16(22)6-8-18)15-21(26)24-14-17-4-2-3-13-23-17/h2-13H,14-15H2,1H3,(H,24,26)
InChIKeyUCHXXJNZENSNJY-UHFFFAOYSA-N
XLogP3.26
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-hydroxy-2-[(4-methoxybenzene)(pyridin-2-ylmethyl)sulfonamido]acetamide
CID 10760373
1-(4-methoxyphenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2983927
2-(3-Chloro-4-methoxy-benzenesulfonylamino)-N-pyridin-4-ylmethyl-propionamide
CID 3162899
2-(4-Ethoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493067
2-(5-Chloro-2-methoxy-benzenesulfonylamino)-N-pyridin-2-ylmethyl-propionamide
CID 6493572
2-[Benzenesulfonyl-(2-methoxy-phenyl)-amino]-N-pyridin-3-yl-acetamide
CID 1139748
(R)-N-Hydroxy-2-[(4-methoxy-benzenesulfonyl)-pyridin-2-ylmethyl-amino]-3-methyl-butyramide
CID 9886865
2-[(4-Methoxy-benzenesulfonyl)-methyl-amino]-N-pyridin-3-ylmethyl-acetamide
CID 651842
3-chloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 974269
2-{4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(2-pyridinylmethyl)acetamide
CID 1084690
2-{[(4-ethoxyphenyl)sulfonyl]phenylamino}-N-(3-pyridyl)acetamide
CID 1084914
2-[2-chloro-4-(1-pyrrolidinylsulfonyl)phenoxy]-N-(2-pyridinylmethyl)acetamide
CID 2229473

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide (CID 1085400) is 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccccn2)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is UCHXXJNZENSNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O4S/c1-29-19-9-11-20(12-10-19)30(27,28)25(18-7-5-16(22)6-8-18)15-21(26)24-14-17-4-2-3-13-23-17/h2-13H,14-15H2,1H3,(H,24,26).
What are the key properties of 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide?
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 445.93 g/mol, XLogP of 3.26, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 1085400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).