3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide

C18H28N2O4S — CID 110343642

IUPAC3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(S(=O)(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C18H28N2O4S/c1-4-9-19(10-5-2)18(21)16-7-6-8-17(13-16)25(22,23)20-11-12-24-15(3)14-20/h6-8,13,15H,4-5,9-12,14H2,1-3H3
InChIKeyAHDMDBLNADTFRZ-UHFFFAOYSA-N
MW368.50 g/mol
LogP2.36
Rot. Bonds7

About 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide

3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide (PubChem CID 110343642) has the molecular formula C18H28N2O4S and a molecular weight of 368.50 g/mol. Its IUPAC name is 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide.

Molecular Properties

Compound Name3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide
PubChem CID110343642
Molecular FormulaC18H28N2O4S
Molecular Weight368.50 g/mol
Exact Mass368.18
IUPAC Name3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1cccc(S(=O)(=O)N2CCOC(C)C2)c1
InChIInChI=1S/C18H28N2O4S/c1-4-9-19(10-5-2)18(21)16-7-6-8-17(13-16)25(22,23)20-11-12-24-15(3)14-20/h6-8,13,15H,4-5,9-12,14H2,1-3H3
InChIKeyAHDMDBLNADTFRZ-UHFFFAOYSA-N
XLogP2.36
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343621
2-[[3-(azepan-1-ylsulfonyl)benzoyl]-propylamino]acetic acid
CID 119205568
(2-methylmorpholin-4-yl)-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]methanone
CID 110354731
N-(3-chlorophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343662
1-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]propan-1-amine
CID 60873972
N-(4-cyanophenyl)-3-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343671
4-(2-methylmorpholin-4-yl)sulfonylbenzoic acid
CID 18072868
3-chloro-N-[3-(2-methylmorpholin-4-yl)sulfonylphenyl]benzamide
CID 110352531
N-butyl-4-(2-methylmorpholin-4-yl)sulfonylbenzamide
CID 110343756
3-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoic acid
CID 690608
4-(2-methylmorpholin-4-yl)sulfonyl-N-pentylbenzamide
CID 110343792
1-[3-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]propan-1-one
CID 60872098

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide?
The IUPAC name of 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide (CID 110343642) is 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide.
What is the SMILES notation for 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide?
The canonical SMILES for 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1cccc(S(=O)(=O)N2CCOC(C)C2)c1.
What is the InChIKey of 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide?
The InChIKey is AHDMDBLNADTFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4S/c1-4-9-19(10-5-2)18(21)16-7-6-8-17(13-16)25(22,23)20-11-12-24-15(3)14-20/h6-8,13,15H,4-5,9-12,14H2,1-3H3.
What are the key properties of 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide?
3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide has a molecular weight of 368.50 g/mol, XLogP of 2.36, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylmorpholin-4-yl)sulfonyl-N,N-dipropylbenzamide is sourced from PubChem (CID 110343642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).