5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide

C26H33N5O3S — CID 37424773

IUPAC5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C26H33N5O3S/c1-3-31(4-2)35(33,34)23-11-12-25(30-14-5-6-15-30)24(17-23)26(32)28-18-21-7-9-22(10-8-21)19-29-16-13-27-20-29/h7-13,16-17,20H,3-6,14-15,18-19H2,1-2H3,(H,28,32)
InChIKeyUYRMVRWQXUCNOW-UHFFFAOYSA-N
MW495.65 g/mol
LogP3.49
Rot. Bonds10

About 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide

5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide (PubChem CID 37424773) has the molecular formula C26H33N5O3S and a molecular weight of 495.65 g/mol. Its IUPAC name is 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound Name5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
PubChem CID37424773
Molecular FormulaC26H33N5O3S
Molecular Weight495.65 g/mol
Exact Mass495.23
IUPAC Name5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1
InChIInChI=1S/C26H33N5O3S/c1-3-31(4-2)35(33,34)23-11-12-25(30-14-5-6-15-30)24(17-23)26(32)28-18-21-7-9-22(10-8-21)19-29-16-13-27-20-29/h7-13,16-17,20H,3-6,14-15,18-19H2,1-2H3,(H,28,32)
InChIKeyUYRMVRWQXUCNOW-UHFFFAOYSA-N
XLogP3.49
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.65
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(diethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 78780901
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 35859072
5-(diethylsulfamoyl)-N-[2-(ethylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 119505891
5-(diethylsulfamoyl)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55679317
N-(2-amino-2-oxoethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 9276846
5-(diethylsulfamoyl)-N-(2-methylpropyl)-2-pyrrolidin-1-ylbenzamide
CID 51159074
5-(diethylsulfamoyl)-N-[(3-ethoxyphenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 55964117
5-(dimethylsulfamoyl)-N-[(4-fluorophenyl)methyl]-2-pyrrolidin-1-ylbenzamide
CID 26880620
5-(diethylsulfamoyl)-N-[2-oxo-2-(propan-2-ylamino)ethyl]-2-pyrrolidin-1-ylbenzamide
CID 9277220
5-(dimethylsulfamoyl)-2-piperidin-1-yl-N-[[4-(1,2,4-triazol-1-yl)phenyl]methyl]benzamide
CID 55732152
N-(1,3-benzothiazol-2-ylmethyl)-5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzamide
CID 112765302
4-(dimethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]benzamide
CID 34906685

Frequently Asked Questions

What is the IUPAC name of 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide?
The IUPAC name of 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide (CID 37424773) is 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide?
The canonical SMILES for 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide is CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1.
What is the InChIKey of 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide?
The InChIKey is UYRMVRWQXUCNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3S/c1-3-31(4-2)35(33,34)23-11-12-25(30-14-5-6-15-30)24(17-23)26(32)28-18-21-7-9-22(10-8-21)19-29-16-13-27-20-29/h7-13,16-17,20H,3-6,14-15,18-19H2,1-2H3,(H,28,32).
What are the key properties of 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide?
5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide has a molecular weight of 495.65 g/mol, XLogP of 3.49, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylsulfamoyl)-N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 37424773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).