N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide

C28H33N3O3S — CID 52908504

IUPACN-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C28H33N3O3S/c1-4-31(26-18-19-30(21-26)22(2)23-12-7-5-8-13-23)28(32)24-14-11-17-27(20-24)35(33,34)29(3)25-15-9-6-10-16-25/h5-17,20,22,26H,4,18-19,21H2,1-3H3/t22-,26-/m0/s1
InChIKeyAMTWGMKSVJXGJZ-NVQXNPDNSA-N
MW491.66 g/mol
LogP4.81
Rot. Bonds8

About N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide

N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide (PubChem CID 52908504) has the molecular formula C28H33N3O3S and a molecular weight of 491.66 g/mol. Its IUPAC name is N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide
PubChem CID52908504
Molecular FormulaC28H33N3O3S
Molecular Weight491.66 g/mol
Exact Mass491.22
IUPAC NameN-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide
SMILESCCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C28H33N3O3S/c1-4-31(26-18-19-30(21-26)22(2)23-12-7-5-8-13-23)28(32)24-14-11-17-27(20-24)35(33,34)29(3)25-15-9-6-10-16-25/h5-17,20,22,26H,4,18-19,21H2,1-3H3/t22-,26-/m0/s1
InChIKeyAMTWGMKSVJXGJZ-NVQXNPDNSA-N
XLogP4.81
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.66
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]-3-sulfamoylbenzamide
CID 98728365
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CID 86874699
N-ethyl-N-[1-(1-phenylethyl)pyrrolidin-3-yl]acetamide
CID 51091141
N-ethyl-5-methyl-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]-1,2-oxazole-3-carboxamide
CID 95286765
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 46582047
N-benzyl-N-(1-cyclopropylethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 75854495
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-3-[methyl(phenyl)sulfamoyl]benzamide
CID 26665113
(2S)-N-ethyl-2-(2-methylpropoxy)-N-[(3R)-1-[(1R)-1-phenylethyl]pyrrolidin-3-yl]propanamide
CID 98728361
3-[methyl(phenyl)sulfamoyl]-N-[1-[4-(propanoylamino)phenyl]ethyl]benzamide
CID 46436913
3-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-N-methyl-N-phenylbenzenesulfonamide
CID 2331661
N-methyl-3-[methyl(phenyl)sulfamoyl]-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide?
The IUPAC name of N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide (CID 52908504) is N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide is CCN(C(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)[C@H]1CCN([C@@H](C)c2ccccc2)C1.
What is the InChIKey of N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide?
The InChIKey is AMTWGMKSVJXGJZ-NVQXNPDNSA-N. The full InChI is InChI=1S/C28H33N3O3S/c1-4-31(26-18-19-30(21-26)22(2)23-12-7-5-8-13-23)28(32)24-14-11-17-27(20-24)35(33,34)29(3)25-15-9-6-10-16-25/h5-17,20,22,26H,4,18-19,21H2,1-3H3/t22-,26-/m0/s1.
What are the key properties of N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide?
N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide has a molecular weight of 491.66 g/mol, XLogP of 4.81, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[methyl(phenyl)sulfamoyl]-N-[(3S)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 52908504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).