N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide

C20H30N2O4S — CID 78785878

IUPACN-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C20H30N2O4S/c1-4-11-21(14-17-5-6-17)20(23)18-7-9-19(10-8-18)27(24,25)22-12-15(2)26-16(3)13-22/h7-10,15-17H,4-6,11-14H2,1-3H3
InChIKeyBSFRTLNDRUYQAE-UHFFFAOYSA-N
MW394.54 g/mol
LogP2.75
Rot. Bonds7

About N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide

N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide (PubChem CID 78785878) has the molecular formula C20H30N2O4S and a molecular weight of 394.54 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide
PubChem CID78785878
Molecular FormulaC20H30N2O4S
Molecular Weight394.54 g/mol
Exact Mass394.19
IUPAC NameN-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide
SMILESCCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1
InChIInChI=1S/C20H30N2O4S/c1-4-11-21(14-17-5-6-17)20(23)18-7-9-19(10-8-18)27(24,25)22-12-15(2)26-16(3)13-22/h7-10,15-17H,4-6,11-14H2,1-3H3
InChIKeyBSFRTLNDRUYQAE-UHFFFAOYSA-N
XLogP2.75
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51222796
N-cyclopentyl-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-methylbenzamide
CID 51268305
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 2049567
N-butyl-4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzamide
CID 8874372
propyl 4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 43008143
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-[3-[[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoyl]amino]-2,2-dimethylpropyl]benzamide
CID 97354391
N-(cyclohexylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzamide
CID 4811437
ethyl 2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoyl]-propan-2-ylamino]acetate
CID 55983785
4-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-[2-oxo-2-(propylamino)ethyl]-N-propylbenzamide
CID 55900495
N-(cyclopropylmethyl)-N-propylfuran-3-carboxamide
CID 86912308
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-(1,1-dioxothiolan-3-yl)-N',N'-dimethylbenzohydrazide
CID 45354773
N-[2-(tert-butylamino)-2-oxoethyl]-4-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonyl-N-methylbenzamide
CID 9193663

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide?
The IUPAC name of N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide (CID 78785878) is N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide.
What is the SMILES notation for N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide?
The canonical SMILES for N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide is CCCN(CC1CC1)C(=O)c1ccc(S(=O)(=O)N2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide?
The InChIKey is BSFRTLNDRUYQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O4S/c1-4-11-21(14-17-5-6-17)20(23)18-7-9-19(10-8-18)27(24,25)22-12-15(2)26-16(3)13-22/h7-10,15-17H,4-6,11-14H2,1-3H3.
What are the key properties of N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide?
N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide has a molecular weight of 394.54 g/mol, XLogP of 2.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-propylbenzamide is sourced from PubChem (CID 78785878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).