3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

C21H25N3O5S — CID 1303186

IUPAC3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O5S/c1-15(2)20(25)23-18-5-3-4-16(14-18)21(26)22-17-6-8-19(9-7-17)30(27,28)24-10-12-29-13-11-24/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyGBADPIYAQNZWOI-UHFFFAOYSA-N
MW431.51 g/mol
LogP2.55
Rot. Bonds6

About 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide

3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (PubChem CID 1303186) has the molecular formula C21H25N3O5S and a molecular weight of 431.51 g/mol. Its IUPAC name is 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
PubChem CID1303186
Molecular FormulaC21H25N3O5S
Molecular Weight431.51 g/mol
Exact Mass431.15
IUPAC Name3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide
SMILESCC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1
InChIInChI=1S/C21H25N3O5S/c1-15(2)20(25)23-18-5-3-4-16(14-18)21(26)22-17-6-8-19(9-7-17)30(27,28)24-10-12-29-13-11-24/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)(H,23,25)
InChIKeyGBADPIYAQNZWOI-UHFFFAOYSA-N
XLogP2.55
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.51
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

SC-74020
CID 5288596
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 2811587
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-(3-acetylphenyl)-4-chloro-3-(morpholin-4-ylsulfonyl)benzamide
CID 1101763
2-[methyl(methylsulfonyl)amino]-N-[4-(1-piperidinylsulfonyl)phenyl]benzamide
CID 1228113
2-(2-methoxyethyl)-N-[4-(morpholin-4-ylsulfonyl)phenyl]-3-oxoisoindoline-4-carboxamide
CID 6619553
4-methyl-N-[4-(pyrrolidin-1-ylsulfonyl)phenyl]benzamide
CID 738960
N-(3-acetylphenyl)-N~2~-methyl-N~2~-(phenylsulfonyl)glycinamide
CID 892408
3-[(dimethylamino)sulfonyl]-N-{2-[(4-methyl-1-piperidinyl)carbonyl]phenyl}benzamide
CID 992258
2-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]benzamide
CID 1010558
N-[4-(piperidin-1-ylsulfonyl)phenyl]cyclohexanecarboxamide
CID 1013273

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The IUPAC name of 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide (CID 1303186) is 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The canonical SMILES for 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is CC(C)C(=O)Nc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)c1.
What is the InChIKey of 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
The InChIKey is GBADPIYAQNZWOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O5S/c1-15(2)20(25)23-18-5-3-4-16(14-18)21(26)22-17-6-8-19(9-7-17)30(27,28)24-10-12-29-13-11-24/h3-9,14-15H,10-13H2,1-2H3,(H,22,26)(H,23,25).
What are the key properties of 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide?
3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide has a molecular weight of 431.51 g/mol, XLogP of 2.55, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropanoylamino)-N-(4-morpholin-4-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 1303186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).