N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide

C23H28N2O6S — CID 55761058

IUPACN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C23H28N2O6S/c1-15(2)32(28,29)17-9-7-16(8-10-17)22(26)24-19-14-21(31-4)20(30-3)13-18(19)23(27)25-11-5-6-12-25/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,26)
InChIKeyUURRCMQGBBIVCX-UHFFFAOYSA-N
MW460.55 g/mol
LogP3.37
Rot. Bonds7

About N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide (PubChem CID 55761058) has the molecular formula C23H28N2O6S and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide
PubChem CID55761058
Molecular FormulaC23H28N2O6S
Molecular Weight460.55 g/mol
Exact Mass460.17
IUPAC NameN-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide
SMILESCOc1cc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)N2CCCC2)cc1OC
InChIInChI=1S/C23H28N2O6S/c1-15(2)32(28,29)17-9-7-16(8-10-17)22(26)24-19-14-21(31-4)20(30-3)13-18(19)23(27)25-11-5-6-12-25/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,26)
InChIKeyUURRCMQGBBIVCX-UHFFFAOYSA-N
XLogP3.37
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-(trifluoromethoxy)benzamide
CID 55639888
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methoxybenzamide
CID 55639792
N-[2-(1,4-diazepane-1-carbonyl)-4,5-dimethoxyphenyl]benzamide
CID 119417744
(2S)-2-amino-N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119283072
N-[4,5-dimethoxy-2-(piperazine-1-carbonyl)phenyl]benzamide;hydrochloride
CID 119403063
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzamide
CID 55639331
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]prop-2-enamide
CID 166406023
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-3-methylthiophene-2-carboxamide
CID 55639759
5-amino-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methylbenzamide
CID 120620884
4-(difluoromethylsulfonyl)-N-[2-(piperidine-1-carbonyl)phenyl]benzamide
CID 26905324
2-butoxy-N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]propanamide
CID 48658025
N-[4,5-dimethoxy-2-(piperidine-1-carbonyl)phenyl]-2-methyl-3-nitrobenzamide
CID 55639880

Frequently Asked Questions

What is the IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide?
The IUPAC name of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide (CID 55761058) is N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide.
What is the SMILES notation for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide?
The canonical SMILES for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide is COc1cc(NC(=O)c2ccc(S(=O)(=O)C(C)C)cc2)c(C(=O)N2CCCC2)cc1OC.
What is the InChIKey of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide?
The InChIKey is UURRCMQGBBIVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O6S/c1-15(2)32(28,29)17-9-7-16(8-10-17)22(26)24-19-14-21(31-4)20(30-3)13-18(19)23(27)25-11-5-6-12-25/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,24,26).
What are the key properties of N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide?
N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide has a molecular weight of 460.55 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4,5-dimethoxy-2-(pyrrolidine-1-carbonyl)phenyl]-4-propan-2-ylsulfonylbenzamide is sourced from PubChem (CID 55761058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).