N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

C26H33N3O4S — CID 55591182

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-16-14-17(2)24(18(3)15-16)34(32,33)29-13-5-6-23(29)26(31)27-19(4)20-9-11-22(12-10-20)28-25(30)21-7-8-21/h9-12,14-15,19,21,23H,5-8,13H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyQAAYXQBOPZAPKD-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.99
Rot. Bonds7

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (PubChem CID 55591182) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
PubChem CID55591182
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1
InChIInChI=1S/C26H33N3O4S/c1-16-14-17(2)24(18(3)15-16)34(32,33)29-13-5-6-23(29)26(31)27-19(4)20-9-11-22(12-10-20)28-25(30)21-7-8-21/h9-12,14-15,19,21,23H,5-8,13H2,1-4H3,(H,27,31)(H,28,30)
InChIKeyQAAYXQBOPZAPKD-UHFFFAOYSA-N
XLogP3.99
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154365
N-[4-(difluoromethoxy)phenyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 18154914
(2S)-N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide
CID 46580849
N-(5-methyl-2-pyridinyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 55523063
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-(2-oxochromen-6-yl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 60522629
methyl 3-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]benzoate
CID 18155623
N-[2-(3,4-difluoroanilino)-2-oxoethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 46564791
N-(3-aminobutyl)-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 119496180
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
2-[[1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carbonyl]amino]acetic acid
CID 119171222
1-(benzenesulfonyl)-N-(1-phenylethyl)piperidine-2-carboxamide
CID 17414721

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide (CID 55591182) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is Cc1cc(C)c(S(=O)(=O)N2CCCC2C(=O)NC(C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
The InChIKey is QAAYXQBOPZAPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-16-14-17(2)24(18(3)15-16)34(32,33)29-13-5-6-23(29)26(31)27-19(4)20-9-11-22(12-10-20)28-25(30)21-7-8-21/h9-12,14-15,19,21,23H,5-8,13H2,1-4H3,(H,27,31)(H,28,30).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide has a molecular weight of 483.63 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-1-(2,4,6-trimethylphenyl)sulfonylpyrrolidine-2-carboxamide is sourced from PubChem (CID 55591182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).