N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide

C22H26N6O2S — CID 68882403

IUPACN-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NC4CCC4)cc3)n2)n1CC1CC1
InChIInChI=1S/C22H26N6O2S/c1-15-24-13-21(28(15)14-16-5-6-16)20-11-12-23-22(26-20)25-17-7-9-19(10-8-17)31(29,30)27-18-3-2-4-18/h7-13,16,18,27H,2-6,14H2,1H3,(H,23,25,26)
InChIKeyHAQNEDOAARVSGM-UHFFFAOYSA-N
MW438.56 g/mol
LogP3.63
Rot. Bonds8

About N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide

N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide (PubChem CID 68882403) has the molecular formula C22H26N6O2S and a molecular weight of 438.56 g/mol. Its IUPAC name is N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide.

Molecular Properties

Compound NameN-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
PubChem CID68882403
Molecular FormulaC22H26N6O2S
Molecular Weight438.56 g/mol
Exact Mass438.18
IUPAC NameN-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide
SMILESCc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NC4CCC4)cc3)n2)n1CC1CC1
InChIInChI=1S/C22H26N6O2S/c1-15-24-13-21(28(15)14-16-5-6-16)20-11-12-23-22(26-20)25-17-7-9-19(10-8-17)31(29,30)27-18-3-2-4-18/h7-13,16,18,27H,2-6,14H2,1H3,(H,23,25,26)
InChIKeyHAQNEDOAARVSGM-UHFFFAOYSA-N
XLogP3.63
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.56
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide 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 N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The IUPAC name of N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide (CID 68882403) is N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide.
What is the SMILES notation for N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The canonical SMILES for N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide is Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NC4CCC4)cc3)n2)n1CC1CC1.
What is the InChIKey of N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
The InChIKey is HAQNEDOAARVSGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2S/c1-15-24-13-21(28(15)14-16-5-6-16)20-11-12-23-22(26-20)25-17-7-9-19(10-8-17)31(29,30)27-18-3-2-4-18/h7-13,16,18,27H,2-6,14H2,1H3,(H,23,25,26).
What are the key properties of N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide?
N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide has a molecular weight of 438.56 g/mol, XLogP of 3.63, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-[[4-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]pyrimidin-2-yl]amino]benzenesulfonamide is sourced from PubChem (CID 68882403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).