N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

C17H19ClN4O4S — CID 39945799

IUPACN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C17H19ClN4O4S/c1-12-14(18)5-2-6-15(12)22-17(24)11-20-16(23)7-9-21-27(25,26)13-4-3-8-19-10-13/h2-6,8,10,21H,7,9,11H2,1H3,(H,20,23)(H,22,24)
InChIKeyGQDPMMBCOMKBKX-UHFFFAOYSA-N
MW410.88 g/mol
LogP1.47
Rot. Bonds8

About N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide (PubChem CID 39945799) has the molecular formula C17H19ClN4O4S and a molecular weight of 410.88 g/mol. Its IUPAC name is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
PubChem CID39945799
Molecular FormulaC17H19ClN4O4S
Molecular Weight410.88 g/mol
Exact Mass410.08
IUPAC NameN-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
SMILESCc1c(Cl)cccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1cccnc1
InChIInChI=1S/C17H19ClN4O4S/c1-12-14(18)5-2-6-15(12)22-17(24)11-20-16(23)7-9-21-27(25,26)13-4-3-8-19-10-13/h2-6,8,10,21H,7,9,11H2,1H3,(H,20,23)(H,22,24)
InChIKeyGQDPMMBCOMKBKX-UHFFFAOYSA-N
XLogP1.47
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.88
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 24547916
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 27858823
N-(3-chloro-2-methylphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192157
N-(3-chloro-2-methylphenyl)-3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanamide
CID 26589741
N-(3-chloro-2-methylphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383212
N-(2-amino-2-ethylbutyl)-3-(pyridin-3-ylsulfonylamino)propanamide
CID 119642641
N-[2-(4-chlorophenyl)sulfanylethyl]-3-(pyridin-3-ylsulfonylamino)propanamide
CID 43072425
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(3-chloro-2-methylphenyl)-2-(ethylsulfonylamino)acetamide
CID 112997974
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(2,3-dichlorophenyl)propanamide
CID 38926559
(2S)-2-[3-(pyridin-3-ylsulfonylamino)propanoylamino]propanoic acid
CID 119943288
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]prop-2-enamide
CID 146150404

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The IUPAC name of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide (CID 39945799) is N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide.
What is the SMILES notation for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The canonical SMILES for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide is Cc1c(Cl)cccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1cccnc1.
What is the InChIKey of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
The InChIKey is GQDPMMBCOMKBKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O4S/c1-12-14(18)5-2-6-15(12)22-17(24)11-20-16(23)7-9-21-27(25,26)13-4-3-8-19-10-13/h2-6,8,10,21H,7,9,11H2,1H3,(H,20,23)(H,22,24).
What are the key properties of N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide?
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide has a molecular weight of 410.88 g/mol, XLogP of 1.47, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-(pyridin-3-ylsulfonylamino)propanamide is sourced from PubChem (CID 39945799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).