N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide

C20H23Cl2N3O3S — CID 55345481

IUPACN-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23Cl2N3O3S/c1-14-5-7-16(12-19(14)29(27,28)25-9-3-2-4-10-25)23-13-20(26)24-18-11-15(21)6-8-17(18)22/h5-8,11-12,23H,2-4,9-10,13H2,1H3,(H,24,26)
InChIKeyIIHHOSRXKNAFFU-UHFFFAOYSA-N
MW456.40 g/mol
LogP4.53
Rot. Bonds6

About N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide

N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide (PubChem CID 55345481) has the molecular formula C20H23Cl2N3O3S and a molecular weight of 456.40 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
PubChem CID55345481
Molecular FormulaC20H23Cl2N3O3S
Molecular Weight456.40 g/mol
Exact Mass455.08
IUPAC NameN-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
SMILESCc1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C20H23Cl2N3O3S/c1-14-5-7-16(12-19(14)29(27,28)25-9-3-2-4-10-25)23-13-20(26)24-18-11-15(21)6-8-17(18)22/h5-8,11-12,23H,2-4,9-10,13H2,1H3,(H,24,26)
InChIKeyIIHHOSRXKNAFFU-UHFFFAOYSA-N
XLogP4.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.40
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromo-2-fluorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 26438243
N-(2-methoxyphenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide
CID 9100423
4-chloro-N-[2-(2,5-dichloroanilino)-2-oxoethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 25498510
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]-2-(methylamino)acetamide
CID 119675127
N-(2,5-dichlorophenyl)-2-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]acetamide
CID 2088229
2-[3-(azepan-1-ylsulfonyl)-4-methylanilino]-N,N-dimethylacetamide
CID 32898605
N-[3-(azepan-1-ylsulfonyl)-4-methylphenyl]propanamide
CID 26522243
N-(2,5-dichlorophenyl)-2-[4-(piperidine-1-carbonyl)anilino]acetamide
CID 54841411
N-[2-(2,5-dichloroanilino)-2-oxoethyl]-4-piperidin-1-ylsulfonylbenzamide
CID 26893607
2-(4-bromoanilino)-N-(2-chloro-5-piperidin-1-ylsulfonylphenyl)acetamide
CID 4806473
N-(2-chloro-5-nitrophenyl)-2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)acetamide
CID 5033110
3-amino-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119263648

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
The IUPAC name of N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide (CID 55345481) is N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide is Cc1ccc(NCC(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
The InChIKey is IIHHOSRXKNAFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl2N3O3S/c1-14-5-7-16(12-19(14)29(27,28)25-9-3-2-4-10-25)23-13-20(26)24-18-11-15(21)6-8-17(18)22/h5-8,11-12,23H,2-4,9-10,13H2,1H3,(H,24,26).
What are the key properties of N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide?
N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide has a molecular weight of 456.40 g/mol, XLogP of 4.53, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-2-(4-methyl-3-piperidin-1-ylsulfonylanilino)acetamide is sourced from PubChem (CID 55345481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).