N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide

C23H29N3O4S — CID 4828738

IUPACN-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
SMILESCCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1
InChIInChI=1S/C23H29N3O4S/c1-2-18-6-5-7-19(16-18)24-23(27)21-17-20(8-9-22(21)25-10-3-4-11-25)31(28,29)26-12-14-30-15-13-26/h5-9,16-17H,2-4,10-15H2,1H3,(H,24,27)
InChIKeyCQAPYGQHGKZKEH-UHFFFAOYSA-N
MW443.57 g/mol
LogP3.12
Rot. Bonds6

About N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide

N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide (PubChem CID 4828738) has the molecular formula C23H29N3O4S and a molecular weight of 443.57 g/mol. Its IUPAC name is N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
PubChem CID4828738
Molecular FormulaC23H29N3O4S
Molecular Weight443.57 g/mol
Exact Mass443.19
IUPAC NameN-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
SMILESCCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1
InChIInChI=1S/C23H29N3O4S/c1-2-18-6-5-7-19(16-18)24-23(27)21-17-20(8-9-22(21)25-10-3-4-11-25)31(28,29)26-12-14-30-15-13-26/h5-9,16-17H,2-4,10-15H2,1H3,(H,24,27)
InChIKeyCQAPYGQHGKZKEH-UHFFFAOYSA-N
XLogP3.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.57
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[(5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzoyl)amino]benzoate
CID 26240399
5-morpholin-4-ylsulfonyl-N-naphthalen-1-yl-2-piperidin-1-ylbenzamide
CID 26087225
N-(3,4-dimethylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 4815665
N-(3-chloro-2-fluorophenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 43000218
N-(4-methylsulfanylphenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 42369200
N-(4-fluorophenyl)-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 2640923
N-(2,5-dimethylphenyl)-5-morpholin-4-ylsulfonyl-2-piperidin-1-ylbenzamide
CID 26909307
N-(3-ethylphenyl)-4-piperidin-1-yl-3-piperidin-1-ylsulfonylbenzamide
CID 46349254
N-methyl-2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzamide
CID 17478604
N-(3-ethylphenyl)-2-(4-morpholin-4-ylsulfonylphenoxy)acetamide
CID 7612849
N-(2,5-difluorophenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide
CID 31509173
2-chloro-N-(3-methylphenyl)-5-morpholin-4-ylsulfonylbenzamide
CID 1119039

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide (CID 4828738) is N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide is CCc1cccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCCC2)c1.
What is the InChIKey of N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
The InChIKey is CQAPYGQHGKZKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O4S/c1-2-18-6-5-7-19(16-18)24-23(27)21-17-20(8-9-22(21)25-10-3-4-11-25)31(28,29)26-12-14-30-15-13-26/h5-9,16-17H,2-4,10-15H2,1H3,(H,24,27).
What are the key properties of N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide?
N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide has a molecular weight of 443.57 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-5-morpholin-4-ylsulfonyl-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 4828738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).