4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine

C14H21N3O4S — CID 110352653

IUPAC4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
SMILESCC1COCCN1C(=O)c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O4S/c1-11-10-21-9-8-17(11)14(18)12-4-6-13(7-5-12)15-22(19,20)16(2)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyOTHJEUAYPPONKR-UHFFFAOYSA-N
MW327.41 g/mol
LogP0.77
Rot. Bonds4

About 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine

4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine (PubChem CID 110352653) has the molecular formula C14H21N3O4S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
PubChem CID110352653
Molecular FormulaC14H21N3O4S
Molecular Weight327.41 g/mol
Exact Mass327.13
IUPAC Name4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine
SMILESCC1COCCN1C(=O)c1ccc(NS(=O)(=O)N(C)C)cc1
InChIInChI=1S/C14H21N3O4S/c1-11-10-21-9-8-17(11)14(18)12-4-6-13(7-5-12)15-22(19,20)16(2)3/h4-7,11,15H,8-10H2,1-3H3
InChIKeyOTHJEUAYPPONKR-UHFFFAOYSA-N
XLogP0.77
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N,N-diethylbenzamide
CID 458760
2-Amino-N-[3-(morpholin-4-yl)propyl]benzamide
CID 2306528
Morpholino(4-nitrophenyl)methanone
CID 220838
2-(Morpholine-4-carbonyl)aniline
CID 726276
Sematilide
CID 58505
N-(2-morpholin-4-ylethyl)-4-(pentanoylamino)benzamide
CID 2212314
N-[2-(diethylamino)ethyl]-4-(methanesulfonamido)-N-prop-2-enylbenzamide
CID 20225368
3-(Morpholine-4-carbonyl)aniline
CID 6485064
4-[(2,6-Dimethylmorpholin-4-yl)carbonyl]aniline
CID 577562
4-(Piperidin-1-ylcarbonyl)aniline
CID 577812
4-(Morpholine-4-carbonyl)aniline
CID 577815
N-(4-carbamoylphenyl)-1-(methylsulfonyl)piperidine-4-carboxamide
CID 1081285

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine?
The IUPAC name of 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine (CID 110352653) is 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine is CC1COCCN1C(=O)c1ccc(NS(=O)(=O)N(C)C)cc1.
What is the InChIKey of 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine?
The InChIKey is OTHJEUAYPPONKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4S/c1-11-10-21-9-8-17(11)14(18)12-4-6-13(7-5-12)15-22(19,20)16(2)3/h4-7,11,15H,8-10H2,1-3H3.
What are the key properties of 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine?
4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine has a molecular weight of 327.41 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(dimethylsulfamoylamino)benzoyl]-3-methylmorpholine is sourced from PubChem (CID 110352653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).