N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

C19H24N4O3S — CID 91628963

IUPACN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCn1ccnc1C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H24N4O3S/c24-19(21-10-14-22-13-9-20-18(22)15-3-4-15)16-5-7-17(8-6-16)27(25,26)23-11-1-2-12-23/h5-9,13,15H,1-4,10-12,14H2,(H,21,24)
InChIKeyJMLWKJMWLONWCI-UHFFFAOYSA-N
MW388.49 g/mol
LogP1.98
Rot. Bonds7

About N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide

N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 91628963) has the molecular formula C19H24N4O3S and a molecular weight of 388.49 g/mol. Its IUPAC name is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID91628963
Molecular FormulaC19H24N4O3S
Molecular Weight388.49 g/mol
Exact Mass388.16
IUPAC NameN-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
SMILESO=C(NCCn1ccnc1C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C19H24N4O3S/c24-19(21-10-14-22-13-9-20-18(22)15-3-4-15)16-5-7-17(8-6-16)27(25,26)23-11-1-2-12-23/h5-9,13,15H,1-4,10-12,14H2,(H,21,24)
InChIKeyJMLWKJMWLONWCI-UHFFFAOYSA-N
XLogP1.98
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(1H-imidazol-1-yl)propyl]-8-oxo-9-azatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-1(10),2(7),3,5,11(16),12,14-heptaene-14-sulfonamide
CID 10002219
5-(3-Imidazol-1-yl-propylsulfamoyl)-N-isopropyl-2-methyl-benzamide
CID 6457658
N-(cyclopropylmethyl)-2-{[(1-methyl-1H-imidazol-4-yl)sulfonyl]amino}benzamide
CID 2812233
N-(cyclopropylmethyl)-2-{[(1,2-dimethyl-1H-imidazol-4-yl)sulfonyl]amino}benzamide
CID 2812239
3-(dimethylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 3903324
(1-Methylimidazol-2-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 4144161
N-Benzyl-N-(1-methyl-1H-imidazol-2-ylmethyl)-2-(toluene-4-sulfonylamino)-benzamide
CID 10162503
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(3-imidazol-1-ylpropyl)benzamide
CID 2998740
4-[(2,6-dimethyl-4-morpholinyl)sulfonyl]-N-[3-(1-imidazolyl)propyl]benzamide
CID 3959870
3-(benzylsulfamoyl)-N-(3-imidazol-1-ylpropyl)benzamide
CID 4879342
3-(azepan-1-ylsulfonyl)-N-(3-imidazol-1-ylpropyl)benzamide;hydrochloride
CID 9551924
N-(3-Imidazol-1-yl-propyl)-4-methylsulfanyl-benzamide
CID 13588925

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide (CID 91628963) is N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is O=C(NCCn1ccnc1C1CC1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is JMLWKJMWLONWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3S/c24-19(21-10-14-22-13-9-20-18(22)15-3-4-15)16-5-7-17(8-6-16)27(25,26)23-11-1-2-12-23/h5-9,13,15H,1-4,10-12,14H2,(H,21,24).
What are the key properties of N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide?
N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 388.49 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropylimidazol-1-yl)ethyl]-4-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 91628963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).