3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

C23H28N2O4S — CID 132668424

IUPAC3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H28N2O4S/c1-16-9-10-19-20(15-23(2,3)29-21(19)13-16)24-22(26)17-7-6-8-18(14-17)30(27,28)25-11-4-5-12-25/h6-10,13-14,20H,4-5,11-12,15H2,1-3H3,(H,24,26)
InChIKeyQACHQUJWZYLWQT-UHFFFAOYSA-N
MW428.55 g/mol
LogP3.81
Rot. Bonds4

About 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide

3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (PubChem CID 132668424) has the molecular formula C23H28N2O4S and a molecular weight of 428.55 g/mol. Its IUPAC name is 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.

Molecular Properties

Compound Name3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
PubChem CID132668424
Molecular FormulaC23H28N2O4S
Molecular Weight428.55 g/mol
Exact Mass428.18
IUPAC Name3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
SMILESCc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C23H28N2O4S/c1-16-9-10-19-20(15-23(2,3)29-21(19)13-16)24-22(26)17-7-6-8-18(14-17)30(27,28)25-11-4-5-12-25/h6-10,13-14,20H,4-5,11-12,15H2,1-3H3,(H,24,26)
InChIKeyQACHQUJWZYLWQT-UHFFFAOYSA-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 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-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

4-pyrrolidin-1-ylsulfonyl-N-[(4S)-2,2,6-trimethyl-3,4-dihydrochromen-4-yl]benzamide
CID 100682281
1-(benzenesulfonyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100646232
1-(4-methylphenyl)sulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 133167095
3-(azepan-1-ylsulfonyl)-N-(2,2-diethyl-3,4-dihydrochromen-4-yl)benzamide
CID 133187817
3-(1,1-dioxothiazinan-2-yl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide
CID 132668421
1-(4-chlorophenyl)sulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-3-carboxamide
CID 133189556
(3R)-1-(4-chlorophenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 100676260
N-(2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 132672578
(3R)-1-(dimethylsulfamoyl)-N-[(4R)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-3-carboxamide
CID 95877743
1-(4-methoxyphenyl)sulfonyl-N-[(4S)-2,2,7-trimethyl-3,4-dihydrochromen-4-yl]piperidine-4-carboxamide
CID 100656880
1-(dimethylsulfamoyl)-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)piperidine-4-carboxamide
CID 53278094
(3S)-N-[(4S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125074618

Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The IUPAC name of 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide (CID 132668424) is 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide.
What is the SMILES notation for 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The canonical SMILES for 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is Cc1ccc2c(c1)OC(C)(C)CC2NC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1.
What is the InChIKey of 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
The InChIKey is QACHQUJWZYLWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O4S/c1-16-9-10-19-20(15-23(2,3)29-21(19)13-16)24-22(26)17-7-6-8-18(14-17)30(27,28)25-11-4-5-12-25/h6-10,13-14,20H,4-5,11-12,15H2,1-3H3,(H,24,26).
What are the key properties of 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide?
3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-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 3-pyrrolidin-1-ylsulfonyl-N-(2,2,7-trimethyl-3,4-dihydrochromen-4-yl)benzamide is sourced from PubChem (CID 132668424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).