N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide

C19H23N3O3S — CID 133108046

IUPACN-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide
SMILESCC(NC(=O)c1cccc(C2CNNC2)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(14-6-8-18(9-7-14)26(2,24)25)22-19(23)16-5-3-4-15(10-16)17-11-20-21-12-17/h3-10,13,17,20-21H,11-12H2,1-2H3,(H,22,23)
InChIKeyUDPGKDCWZRKLED-UHFFFAOYSA-N
MW373.48 g/mol
LogP1.77
Rot. Bonds5

About N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide

N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide (PubChem CID 133108046) has the molecular formula C19H23N3O3S and a molecular weight of 373.48 g/mol. Its IUPAC name is N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide.

Molecular Properties

Compound NameN-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide
PubChem CID133108046
Molecular FormulaC19H23N3O3S
Molecular Weight373.48 g/mol
Exact Mass373.15
IUPAC NameN-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide
SMILESCC(NC(=O)c1cccc(C2CNNC2)c1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C19H23N3O3S/c1-13(14-6-8-18(9-7-14)26(2,24)25)22-19(23)16-5-3-4-15(10-16)17-11-20-21-12-17/h3-10,13,17,20-21H,11-12H2,1-2H3,(H,22,23)
InChIKeyUDPGKDCWZRKLED-UHFFFAOYSA-N
XLogP1.77
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.48
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylsulfonylphenyl)ethyl]-3-phenoxybenzamide
CID 18096179
3-methoxy-N-[(1R)-1-phenylethyl]-4-pyrazolidin-4-ylbenzamide
CID 131635924
2-chloro-N-[1-(4-methylsulfonylphenyl)ethyl]pyridine-4-carboxamide
CID 51257751
3-methoxy-4-methyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26958285
4-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-nitrobenzamide
CID 26468357
4-cyano-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 26468106
6-N-[1-(4-methylsulfonylphenyl)ethyl]-2-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 25024948
4-methylsulfonyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]benzamide
CID 9395957
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
trans-(1R,2R)-2-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 124782893
(3R)-3-[3-[[(1S)-1-(4-ethylphenyl)ethyl]carbamoyl]phenyl]-N-methylpiperidine-1-carboxamide
CID 92891474
(3R)-N-ethyl-3-[3-[[(1R)-1-(4-fluorophenyl)ethyl]carbamoyl]phenyl]piperidine-1-carboxamide
CID 92891102

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide?
The IUPAC name of N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide (CID 133108046) is N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide.
What is the SMILES notation for N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide?
The canonical SMILES for N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide is CC(NC(=O)c1cccc(C2CNNC2)c1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide?
The InChIKey is UDPGKDCWZRKLED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S/c1-13(14-6-8-18(9-7-14)26(2,24)25)22-19(23)16-5-3-4-15(10-16)17-11-20-21-12-17/h3-10,13,17,20-21H,11-12H2,1-2H3,(H,22,23).
What are the key properties of N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide?
N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide has a molecular weight of 373.48 g/mol, XLogP of 1.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylsulfonylphenyl)ethyl]-3-pyrazolidin-4-ylbenzamide is sourced from PubChem (CID 133108046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).