4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C18H28ClN3O4S — CID 119510642

IUPAC4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCc1ccc(C(=O)NCC2CCCN2)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-2-14-5-6-15(18(22)20-13-16-4-3-7-19-16)12-17(14)26(23,24)21-8-10-25-11-9-21;/h5-6,12,16,19H,2-4,7-11,13H2,1H3,(H,20,22);1H
InChIKeyGUKXSVBBCAUISH-UHFFFAOYSA-N
MW417.96 g/mol
LogP1.17
Rot. Bonds6

About 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119510642) has the molecular formula C18H28ClN3O4S and a molecular weight of 417.96 g/mol. Its IUPAC name is 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119510642
Molecular FormulaC18H28ClN3O4S
Molecular Weight417.96 g/mol
Exact Mass417.15
IUPAC Name4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCc1ccc(C(=O)NCC2CCCN2)cc1S(=O)(=O)N1CCOCC1.Cl
InChIInChI=1S/C18H27N3O4S.ClH/c1-2-14-5-6-15(18(22)20-13-16-4-3-7-19-16)12-17(14)26(23,24)21-8-10-25-11-9-21;/h5-6,12,16,19H,2-4,7-11,13H2,1H3,(H,20,22);1H
InChIKeyGUKXSVBBCAUISH-UHFFFAOYSA-N
XLogP1.17
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.96
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-3-piperidin-1-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119514288
N-(2-amino-2-methylpropyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 119626593
N-butan-2-yl-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 46584081
4-ethyl-N-[(2R)-2-(ethylamino)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 120653317
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]-2,2-dimethylpropanoic acid
CID 119250337
N-(3-aminobutyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119495645
3-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]butanoic acid
CID 119221567
N-[[4-(cyclopropanecarbonylamino)phenyl]methyl]-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30838866
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-morpholin-4-ylmethanone
CID 43058655
(4-ethyl-3-morpholin-4-ylsulfonylphenyl)-[2-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119649218
N-(1,3-benzodioxol-5-ylmethyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 30836100
4-ethyl-N-methyl-3-morpholin-4-ylsulfonyl-N-pyrrolidin-3-ylbenzamide
CID 119550758

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119510642) is 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is CCc1ccc(C(=O)NCC2CCCN2)cc1S(=O)(=O)N1CCOCC1.Cl.
What is the InChIKey of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is GUKXSVBBCAUISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O4S.ClH/c1-2-14-5-6-15(18(22)20-13-16-4-3-7-19-16)12-17(14)26(23,24)21-8-10-25-11-9-21;/h5-6,12,16,19H,2-4,7-11,13H2,1H3,(H,20,22);1H.
What are the key properties of 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 417.96 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-morpholin-4-ylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119510642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).