2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide

C17H25Cl2N3O3S — CID 99971213

IUPAC2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
SMILESCN1CCC(CCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1
InChIInChI=1S/C17H25Cl2N3O3S/c1-21-10-7-13(8-11-21)6-9-20-16(23)12-22(26(2,24)25)15-5-3-4-14(18)17(15)19/h3-5,13H,6-12H2,1-2H3,(H,20,23)
InChIKeyVGRXOPGEDPRDLH-UHFFFAOYSA-N
MW422.38 g/mol
LogP2.61
Rot. Bonds7

About 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide

2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide (PubChem CID 99971213) has the molecular formula C17H25Cl2N3O3S and a molecular weight of 422.38 g/mol. Its IUPAC name is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
PubChem CID99971213
Molecular FormulaC17H25Cl2N3O3S
Molecular Weight422.38 g/mol
Exact Mass421.10
IUPAC Name2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
SMILESCN1CCC(CCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1
InChIInChI=1S/C17H25Cl2N3O3S/c1-21-10-7-13(8-11-21)6-9-20-16(23)12-22(26(2,24)25)15-5-3-4-14(18)17(15)19/h3-5,13H,6-12H2,1-2H3,(H,20,23)
InChIKeyVGRXOPGEDPRDLH-UHFFFAOYSA-N
XLogP2.61
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.38
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946237
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(2-methoxyethyl)acetamide
CID 46919892
N-[2-(1-methylpiperidin-4-yl)ethyl]-2-(N-methylsulfonyl-3-nitroanilino)acetamide
CID 99971223
2-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide
CID 99971406
N-[(2R)-butan-2-yl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 124748964
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]acetamide
CID 113072046
N-[2-(2,3-dichloro-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072050
N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]-2-(2,3-dichloro-N-methylsulfonylanilino)acetamide
CID 30225921
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1321054
4-(2,5-dimethyl-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
CID 99971590
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 1317655

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide (CID 99971213) is 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide is CN1CCC(CCNC(=O)CN(c2cccc(Cl)c2Cl)S(C)(=O)=O)CC1.
What is the InChIKey of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
The InChIKey is VGRXOPGEDPRDLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25Cl2N3O3S/c1-21-10-7-13(8-11-21)6-9-20-16(23)12-22(26(2,24)25)15-5-3-4-14(18)17(15)19/h3-5,13H,6-12H2,1-2H3,(H,20,23).
What are the key properties of 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide?
2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide has a molecular weight of 422.38 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichloro-N-methylsulfonylanilino)-N-[2-(1-methylpiperidin-4-yl)ethyl]acetamide is sourced from PubChem (CID 99971213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).