N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

C22H26N2O4S — CID 9245623

IUPACN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C22H26N2O4S/c25-22(23-20-13-16-28-21-6-2-1-5-19(20)21)12-9-17-7-10-18(11-8-17)29(26,27)24-14-3-4-15-24/h1-2,5-8,10-11,20H,3-4,9,12-16H2,(H,23,25)/t20-/m1/s1
InChIKeyPEHZIBMAGXRGRF-HXUWFJFHSA-N
MW414.53 g/mol
LogP3.04
Rot. Bonds6

About N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide

N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (PubChem CID 9245623) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.

Molecular Properties

Compound NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
PubChem CID9245623
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC NameN-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
SMILESO=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCOc2ccccc21
InChIInChI=1S/C22H26N2O4S/c25-22(23-20-13-16-28-21-6-2-1-5-19(20)21)12-9-17-7-10-18(11-8-17)29(26,27)24-14-3-4-15-24/h1-2,5-8,10-11,20H,3-4,9,12-16H2,(H,23,25)/t20-/m1/s1
InChIKeyPEHZIBMAGXRGRF-HXUWFJFHSA-N
XLogP3.04
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide 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

N-(2,3-dihydro-1H-inden-1-yl)-2-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 51273599
N-pyrrolidin-3-yl-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119450219
3-(4-piperidin-1-ylsulfonylphenyl)-N-pyrrolidin-3-ylpropanamide
CID 119450862
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridinyl]sulfanyl]acetamide
CID 31633631
3-amino-N-(3,4-dihydro-2H-chromen-4-yl)propanamide;hydrochloride
CID 119268905
N-piperidin-1-yl-3-(4-piperidin-1-ylsulfonylphenyl)propanamide
CID 9271161
3-(4-chlorophenyl)sulfonyl-N-(3,4-dihydro-2H-chromen-4-yl)propanamide
CID 18193013
1-(3,4-dihydro-2H-chromen-4-yl)-2-[(3-piperidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 111600047
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-piperidin-3-ylpropanamide
CID 119424951
N-(3,4-dihydro-2H-chromen-4-yl)-3-thiophen-2-ylpropanamide
CID 46524081
N-(3,4-dihydro-2H-chromen-4-yl)-3-(3-methoxyphenyl)propanamide
CID 110750844
N-[2-(aminomethyl)cyclohexyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide;hydrochloride
CID 119609699

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The IUPAC name of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide (CID 9245623) is N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide.
What is the SMILES notation for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The canonical SMILES for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is O=C(CCc1ccc(S(=O)(=O)N2CCCC2)cc1)N[C@@H]1CCOc2ccccc21.
What is the InChIKey of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
The InChIKey is PEHZIBMAGXRGRF-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H26N2O4S/c25-22(23-20-13-16-28-21-6-2-1-5-19(20)21)12-9-17-7-10-18(11-8-17)29(26,27)24-14-3-4-15-24/h1-2,5-8,10-11,20H,3-4,9,12-16H2,(H,23,25)/t20-/m1/s1.
What are the key properties of N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide?
N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide has a molecular weight of 414.53 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide is sourced from PubChem (CID 9245623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).