4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide

C23H28N2O4S — CID 100682281

IUPAC4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC(C)(C)O2
InChIInChI=1S/C23H28N2O4S/c1-16-6-11-21-19(14-16)20(15-23(2,3)29-21)24-22(26)17-7-9-18(10-8-17)30(27,28)25-12-4-5-13-25/h6-11,14,20H,4-5,12-13,15H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKeyASHNSSAHOSMJIW-FQEVSTJZSA-N
MW428.55 g/mol
LogP3.81
Rot. Bonds4

About 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide

4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide (PubChem CID 100682281) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
PubChem CID100682281
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
SMILESCc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC(C)(C)O2
InChIInChI=1S/C23H28N2O4S/c1-16-6-11-21-19(14-16)20(15-23(2,3)29-21)24-22(26)17-7-9-18(10-8-17)30(27,28)25-12-4-5-13-25/h6-11,14,20H,4-5,12-13,15H2,1-3H3,(H,24,26)/t20-/m0/s1
InChIKeyASHNSSAHOSMJIW-FQEVSTJZSA-N
XLogP3.81
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.55
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide 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

3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132668424
1-(4-fluorophenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167136
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(4R)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 100671166
1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100656849
1-(4-methoxyphenyl)sulfonyl-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167702
4-[dimethylsulfamoyl(methyl)amino]-N-(2,2,6-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132669354
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 132672578
1-(4-methylphenyl)sulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167095
N-[(4R)-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 100649231
3-chloro-4-methoxy-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100537401
1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646232
1-(4-chlorophenyl)sulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide
CID 133189556

Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide (CID 100682281) is 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide is Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(S(=O)(=O)N3CCCC3)cc1)CC(C)(C)O2.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
The InChIKey is ASHNSSAHOSMJIW-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-6-11-21-19(14-16)20(15-23(2,3)29-21)24-22(26)17-7-9-18(10-8-17)30(27,28)25-12-4-5-13-25/h6-11,14,20H,4-5,12-13,15H2,1-3H3,(H,24,26)/t20-/m0/s1.
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide?
4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide has a molecular weight of 428.55 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide is sourced from PubChem (CID 100682281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).