4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide

C18H25N5O4S — CID 69381656

IUPAC4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cn[nH]c2C(=O)NC)cc1
InChIInChI=1S/C18H25N5O4S/c1-4-10-23(11-5-2)28(26,27)14-8-6-13(7-9-14)17(24)21-15-12-20-22-16(15)18(25)19-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,25)(H,20,22)(H,21,24)
InChIKeyWIKNMMWROHMVKH-UHFFFAOYSA-N
MW407.50 g/mol
LogP1.83
Rot. Bonds9

About 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide

4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 69381656) has the molecular formula C18H25N5O4S and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID69381656
Molecular FormulaC18H25N5O4S
Molecular Weight407.50 g/mol
Exact Mass407.16
IUPAC Name4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cn[nH]c2C(=O)NC)cc1
InChIInChI=1S/C18H25N5O4S/c1-4-10-23(11-5-2)28(26,27)14-8-6-13(7-9-14)17(24)21-15-12-20-22-16(15)18(25)19-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,25)(H,20,22)(H,21,24)
InChIKeyWIKNMMWROHMVKH-UHFFFAOYSA-N
XLogP1.83
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-(dipropylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 3936209
4-(dipropylsulfamoyl)-N-(4-methylphenyl)benzamide
CID 4012286
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CID 132575418
N-[4-chloro-2-(2H-tetrazol-5-yl)phenyl]-4-(dipropylsulfamoyl)benzamide
CID 42630773
4-propanoyl-N,N-dipropylbenzenesulfonamide
CID 70641695
4-(dipropylsulfamoyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109060953
4-(dipropylsulfamoyl)-N-(4-phenyldiazenylphenyl)benzamide
CID 3597493
4-(dipropylsulfamoyl)-N-(2-hydrazinyl-2-oxoethyl)benzamide
CID 43948656
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
4-[[2-(methylamino)-2-oxoethyl]-propylsulfamoyl]benzoic acid
CID 51087981
2-[[4-[prop-2-enyl(propyl)sulfamoyl]benzoyl]amino]benzoic acid
CID 142963917
N-cycloheptyl-4-(dipropylsulfamoyl)benzamide
CID 109061201

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide (CID 69381656) is 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide is CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cn[nH]c2C(=O)NC)cc1.
What is the InChIKey of 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is WIKNMMWROHMVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4S/c1-4-10-23(11-5-2)28(26,27)14-8-6-13(7-9-14)17(24)21-15-12-20-22-16(15)18(25)19-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,19,25)(H,20,22)(H,21,24).
What are the key properties of 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide?
4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 1.83, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(dipropylsulfamoyl)benzoyl]amino]-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 69381656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).