N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

C22H25ClN4O4S — CID 34082229

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H25ClN4O4S/c1-14-17(15(2)27(3)25-14)10-12-22(28)24-16-9-11-20(31-4)21(13-16)32(29,30)26-19-8-6-5-7-18(19)23/h5-9,11,13,26H,10,12H2,1-4H3,(H,24,28)
InChIKeyJJIJNLLSQHCIEC-UHFFFAOYSA-N
MW476.99 g/mol
LogP4.07
Rot. Bonds8

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (PubChem CID 34082229) has the molecular formula C22H25ClN4O4S and a molecular weight of 476.99 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
PubChem CID34082229
Molecular FormulaC22H25ClN4O4S
Molecular Weight476.99 g/mol
Exact Mass476.13
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
SMILESCOc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C22H25ClN4O4S/c1-14-17(15(2)27(3)25-14)10-12-22(28)24-16-9-11-20(31-4)21(13-16)32(29,30)26-19-8-6-5-7-18(19)23/h5-9,11,13,26H,10,12H2,1-4H3,(H,24,28)
InChIKeyJJIJNLLSQHCIEC-UHFFFAOYSA-N
XLogP4.07
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.99
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]propanamide
CID 29436777
N-(3,4,5-trimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17499400
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(2,5-dimethylphenoxy)acetamide
CID 3911593
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 33078980
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-naphthalen-2-yloxyacetamide
CID 24637106
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 5179877
5-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-methoxybenzamide
CID 26851730
3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-(4-methoxy-3-sulfamoylphenyl)propanamide
CID 24583642
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
N-(2,4-dimethoxyphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 17483732
3-(2,6-dichlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 100599366
3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[3-(methanesulfonamido)-4-methoxyphenyl]propanamide
CID 37065850

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide (CID 34082229) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is COc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
The InChIKey is JJIJNLLSQHCIEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4O4S/c1-14-17(15(2)27(3)25-14)10-12-22(28)24-16-9-11-20(31-4)21(13-16)32(29,30)26-19-8-6-5-7-18(19)23/h5-9,11,13,26H,10,12H2,1-4H3,(H,24,28).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide has a molecular weight of 476.99 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide is sourced from PubChem (CID 34082229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).