2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

C17H20ClN3O4S — CID 6493542

IUPAC2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-3-25-16-8-7-14(10-15(16)18)26(23,24)21(2)12-17(22)20-11-13-6-4-5-9-19-13/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyJVJTXCXGKVOPEE-UHFFFAOYSA-N
MW397.88 g/mol
LogP2.07
Rot. Bonds8

About 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide

2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (PubChem CID 6493542) has the molecular formula C17H20ClN3O4S and a molecular weight of 397.88 g/mol. Its IUPAC name is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
PubChem CID6493542
Molecular FormulaC17H20ClN3O4S
Molecular Weight397.88 g/mol
Exact Mass397.09
IUPAC Name2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide
SMILESCCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1Cl
InChIInChI=1S/C17H20ClN3O4S/c1-3-25-16-8-7-14(10-15(16)18)26(23,24)21(2)12-17(22)20-11-13-6-4-5-9-19-13/h4-10H,3,11-12H2,1-2H3,(H,20,22)
InChIKeyJVJTXCXGKVOPEE-UHFFFAOYSA-N
XLogP2.07
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-Chloro-4-methoxy-N-pyridin-4-ylmethyl-benzenesulfonamide
CID 974271
5-chloro-2-ethoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 1106588
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
2,5-dichloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 801587
2,3-dichloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 900643
3-chloro-4-methoxy-N-(2-pyridinylmethyl)benzenesulfonamide
CID 974269
4-chloro-3-ethoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 978045
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1008082
2-{4-[(cyclohexylamino)sulfonyl]phenoxy}-N-(2-pyridinylmethyl)acetamide
CID 1084690
2-{[(4-ethoxyphenyl)sulfonyl]phenylamino}-N-(3-pyridyl)acetamide
CID 1084914

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The IUPAC name of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide (CID 6493542) is 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is CCOc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccn2)cc1Cl.
What is the InChIKey of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
The InChIKey is JVJTXCXGKVOPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O4S/c1-3-25-16-8-7-14(10-15(16)18)26(23,24)21(2)12-17(22)20-11-13-6-4-5-9-19-13/h4-10H,3,11-12H2,1-2H3,(H,20,22).
What are the key properties of 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide?
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide has a molecular weight of 397.88 g/mol, XLogP of 2.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-ethoxyphenyl)sulfonyl-methylamino]-N-(pyridin-2-ylmethyl)acetamide is sourced from PubChem (CID 6493542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).