N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

C17H24N2O6S — CID 110424101

IUPACN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC1(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)OCCO1
InChIInChI=1S/C17H24N2O6S/c1-17(24-11-12-25-17)5-6-18-16(20)14-3-2-4-15(13-14)26(21,22)19-7-9-23-10-8-19/h2-4,13H,5-12H2,1H3,(H,18,20)
InChIKeyQWIRBVICSZJAGH-UHFFFAOYSA-N
MW384.45 g/mol
LogP0.59
Rot. Bonds6

About N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 110424101) has the molecular formula C17H24N2O6S and a molecular weight of 384.45 g/mol. Its IUPAC name is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID110424101
Molecular FormulaC17H24N2O6S
Molecular Weight384.45 g/mol
Exact Mass384.14
IUPAC NameN-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCC1(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)OCCO1
InChIInChI=1S/C17H24N2O6S/c1-17(24-11-12-25-17)5-6-18-16(20)14-3-2-4-15(13-14)26(21,22)19-7-9-23-10-8-19/h2-4,13H,5-12H2,1H3,(H,18,20)
InChIKeyQWIRBVICSZJAGH-UHFFFAOYSA-N
XLogP0.59
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.45
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(dimethylamino)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 50945849
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2-[(3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 24691198
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-ylsulfonyl)-N-pentylbenzamide
CID 109065051
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3-morpholin-4-ylsulfonyl-N-[2-(4-propan-2-ylphenyl)ethyl]benzamide
CID 2671800
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CID 2329278
N-[2-(4-aminophenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide;hydrochloride
CID 119548741
N-[3-(4-methoxyphenyl)propyl]-3-morpholin-4-ylsulfonylbenzamide
CID 52713270
N-butan-2-yl-3-morpholin-4-ylsulfonylbenzamide
CID 42906024
3-morpholin-4-ylsulfonyl-N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733022

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 110424101) is N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is CC1(CCNC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)OCCO1.
What is the InChIKey of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is QWIRBVICSZJAGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O6S/c1-17(24-11-12-25-17)5-6-18-16(20)14-3-2-4-15(13-14)26(21,22)19-7-9-23-10-8-19/h2-4,13H,5-12H2,1H3,(H,18,20).
What are the key properties of N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 384.45 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 110424101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).