4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

C23H29N5O4S — CID 118035549

IUPAC4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c1
InChIInChI=1S/C23H29N5O4S/c1-12-20(13(2)27-26-12)33(31,32)28-18-5-3-4-15(8-18)21(29)25-19-16-6-14-7-17(19)11-23(9-14,10-16)22(24)30/h3-5,8,14,16-17,19,28H,6-7,9-11H2,1-2H3,(H2,24,30)(H,25,29)(H,26,27)
InChIKeyYGOLDIIQUQMTLM-UHFFFAOYSA-N
MW471.58 g/mol
LogP2.24
Rot. Bonds6

About 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide

4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (PubChem CID 118035549) has the molecular formula C23H29N5O4S and a molecular weight of 471.58 g/mol. Its IUPAC name is 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.

Molecular Properties

Compound Name4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
PubChem CID118035549
Molecular FormulaC23H29N5O4S
Molecular Weight471.58 g/mol
Exact Mass471.19
IUPAC Name4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c1
InChIInChI=1S/C23H29N5O4S/c1-12-20(13(2)27-26-12)33(31,32)28-18-5-3-4-15(8-18)21(29)25-19-16-6-14-7-17(19)11-23(9-14,10-16)22(24)30/h3-5,8,14,16-17,19,28H,6-7,9-11H2,1-2H3,(H2,24,30)(H,25,29)(H,26,27)
InChIKeyYGOLDIIQUQMTLM-UHFFFAOYSA-N
XLogP2.24
TPSA147.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.58
LogP ≤ 52.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The IUPAC name of 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide (CID 118035549) is 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide.
What is the SMILES notation for 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The canonical SMILES for 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)Nc1cccc(C(=O)NC2C3CC4CC2CC(C(N)=O)(C4)C3)c1.
What is the InChIKey of 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
The InChIKey is YGOLDIIQUQMTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O4S/c1-12-20(13(2)27-26-12)33(31,32)28-18-5-3-4-15(8-18)21(29)25-19-16-6-14-7-17(19)11-23(9-14,10-16)22(24)30/h3-5,8,14,16-17,19,28H,6-7,9-11H2,1-2H3,(H2,24,30)(H,25,29)(H,26,27).
What are the key properties of 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide?
4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide has a molecular weight of 471.58 g/mol, XLogP of 2.24, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonylamino]benzoyl]amino]adamantane-1-carboxamide is sourced from PubChem (CID 118035549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).