N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen

C26H32N4O4S — CID 157412743

IUPACN-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen
SMILESCn1cc2c(n1)-c1ccccc1OC21CCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1.[H][H]
InChIInChI=1S/C26H30N4O4S.H2/c1-25(2,3)28-35(32,33)19-11-9-18(10-12-19)24(31)30-15-13-26(14-16-30)21-17-29(4)27-23(21)20-7-5-6-8-22(20)34-26;/h5-12,17,28H,13-16H2,1-4H3;1H
InChIKeyBOLZZUCUNUUBQF-UHFFFAOYSA-N
MW496.63 g/mol
LogP3.93
Rot. Bonds3

About N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen

N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen (PubChem CID 157412743) has the molecular formula C26H32N4O4S and a molecular weight of 496.63 g/mol. Its IUPAC name is N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen.

Molecular Properties

Compound NameN-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen
PubChem CID157412743
Molecular FormulaC26H32N4O4S
Molecular Weight496.63 g/mol
Exact Mass496.21
IUPAC NameN-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen
SMILESCn1cc2c(n1)-c1ccccc1OC21CCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1.[H][H]
InChIInChI=1S/C26H30N4O4S.H2/c1-25(2,3)28-35(32,33)19-11-9-18(10-12-19)24(31)30-15-13-26(14-16-30)21-17-29(4)27-23(21)20-7-5-6-8-22(20)34-26;/h5-12,17,28H,13-16H2,1-4H3;1H
InChIKeyBOLZZUCUNUUBQF-UHFFFAOYSA-N
XLogP3.93
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.63
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)-N-propan-2-ylbenzenesulfonamide
CID 58550717
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-(6-propan-2-yloxy-3-pyridinyl)methanone
CID 54670933
(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-quinolin-8-ylmethanone
CID 58551196
(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)-[4-(trifluoromethylsulfonyl)phenyl]methanone
CID 58551678
2-methylspiro[chromeno[4,3-c]pyrazole-4,1'-cyclohexane]
CID 58551045
4-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-N-tert-butylbenzenesulfonamide;hydrochloride
CID 120808644
1'-(4-pyrrolidin-1-ylsulfonylbenzoyl)spiro[2-benzofuran-3,4'-piperidine]-1-one
CID 72719196
N-tert-butyl-4-[4-[cyano(phenyl)methyl]piperazine-1-carbonyl]benzenesulfonamide
CID 112800740
(3-methoxy-4-propan-2-ylsulfonylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58551201
N-tert-butyl-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 109064276
(3-methylphenyl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 58550848
(1'-methylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)-[4-[(3R)-oxolan-3-yl]sulfonylphenyl]methanone
CID 58551307

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen?
The IUPAC name of N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen (CID 157412743) is N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen.
What is the SMILES notation for N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen?
The canonical SMILES for N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen is Cn1cc2c(n1)-c1ccccc1OC21CCN(C(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)CC1.[H][H].
What is the InChIKey of N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen?
The InChIKey is BOLZZUCUNUUBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4S.H2/c1-25(2,3)28-35(32,33)19-11-9-18(10-12-19)24(31)30-15-13-26(14-16-30)21-17-29(4)27-23(21)20-7-5-6-8-22(20)34-26;/h5-12,17,28H,13-16H2,1-4H3;1H.
What are the key properties of N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen?
N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen has a molecular weight of 496.63 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-carbonyl)benzenesulfonamide;molecular hydrogen is sourced from PubChem (CID 157412743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).