N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

C24H28N2O5S — CID 55864986

IUPACN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C2CC2)C2CCc3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28N2O5S/c1-30-22-11-7-18(16-23(22)32(28,29)25-12-14-31-15-13-25)24(27)26(19-8-9-19)21-10-6-17-4-2-3-5-20(17)21/h2-5,7,11,16,19,21H,6,8-10,12-15H2,1H3
InChIKeyBUVMIIIIESCZLR-UHFFFAOYSA-N
MW456.56 g/mol
LogP3.01
Rot. Bonds6

About N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide

N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55864986) has the molecular formula C24H28N2O5S and a molecular weight of 456.56 g/mol. Its IUPAC name is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55864986
Molecular FormulaC24H28N2O5S
Molecular Weight456.56 g/mol
Exact Mass456.17
IUPAC NameN-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N(C2CC2)C2CCc3ccccc32)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C24H28N2O5S/c1-30-22-11-7-18(16-23(22)32(28,29)25-12-14-31-15-13-25)24(27)26(19-8-9-19)21-10-6-17-4-2-3-5-20(17)21/h2-5,7,11,16,19,21H,6,8-10,12-15H2,1H3
InChIKeyBUVMIIIIESCZLR-UHFFFAOYSA-N
XLogP3.01
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-3-piperidin-1-ylsulfonylbenzamide
CID 55864858
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 55864478
2-[ethyl-(4-methoxy-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119206282
4-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 43060653
N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 42924269
N-(3,5-dimethylphenyl)-N-ethyl-4-methoxy-3-morpholin-4-ylsulfonylbenzamide
CID 55592249
N-benzyl-4-methoxy-N-(4-methylphenyl)-3-morpholin-4-ylsulfonylbenzamide
CID 24979784
(4-methoxy-3-morpholin-4-ylsulfonylphenyl)-[(3R)-3-methylpyrrolidin-1-yl]methanone
CID 95285624
4-methoxy-N-(2-methoxyethyl)-3-morpholin-4-ylsulfonylbenzamide
CID 18892275
[(1R)-1-phenylethyl] 4-methoxy-3-morpholin-4-ylsulfonylbenzoate
CID 8873587
4-methoxy-3-morpholin-4-ylsulfonyl-N-(oxolan-2-ylmethyl)benzamide
CID 18892278
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methoxy-3-morpholin-4-ylsulfonylphenyl)methanone
CID 119631968

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide (CID 55864986) is N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is COc1ccc(C(=O)N(C2CC2)C2CCc3ccccc32)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is BUVMIIIIESCZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O5S/c1-30-22-11-7-18(16-23(22)32(28,29)25-12-14-31-15-13-25)24(27)26(19-8-9-19)21-10-6-17-4-2-3-5-20(17)21/h2-5,7,11,16,19,21H,6,8-10,12-15H2,1H3.
What are the key properties of N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide?
N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 456.56 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-methoxy-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55864986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).