4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide

C19H25N3O4S — CID 110642032

IUPAC4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1C
InChIInChI=1S/C19H25N3O4S/c1-14-12-17(15(2)21(14)3)13-20-19(23)16-4-6-18(7-5-16)27(24,25)22-8-10-26-11-9-22/h4-7,12H,8-11,13H2,1-3H3,(H,20,23)
InChIKeyCLPASKMMDPXQBS-UHFFFAOYSA-N
MW391.49 g/mol
LogP1.59
Rot. Bonds5

About 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide

4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide (PubChem CID 110642032) has the molecular formula C19H25N3O4S and a molecular weight of 391.49 g/mol. Its IUPAC name is 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
PubChem CID110642032
Molecular FormulaC19H25N3O4S
Molecular Weight391.49 g/mol
Exact Mass391.16
IUPAC Name4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide
SMILESCc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1C
InChIInChI=1S/C19H25N3O4S/c1-14-12-17(15(2)21(14)3)13-20-19(23)16-4-6-18(7-5-16)27(24,25)22-8-10-26-11-9-22/h4-7,12H,8-11,13H2,1-3H3,(H,20,23)
InChIKeyCLPASKMMDPXQBS-UHFFFAOYSA-N
XLogP1.59
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.49
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
N-(1,3-benzodioxol-4-ylmethyl)-4-morpholin-4-ylsulfonylbenzamide
CID 171983012
N-[(5-cyclopropyl-1-methylpyrazol-3-yl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 71808611
N-hexyl-4-morpholin-4-ylsulfonylbenzamide
CID 26264686
4-morpholin-4-ylsulfonyl-N-nonylbenzamide
CID 46550002
4-methyl-N-[4-[2-[(4-morpholin-4-ylsulfonylbenzoyl)amino]ethylcarbamoyl]phenyl]benzamide
CID 121062034
4-morpholin-4-ylsulfonyl-N-(pyridin-2-ylmethyl)benzamide
CID 8880641
N-(3,5-dimethylphenyl)-4-morpholin-4-ylsulfonylbenzamide
CID 1077896
3-benzamido-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 55635484
4-morpholin-4-ylsulfonyl-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 8894997
N-(3-methylsulfonylprop-2-enyl)-4-morpholin-4-ylsulfonylbenzamide
CID 171136981
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 9406618

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide?
The IUPAC name of 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide (CID 110642032) is 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide?
The canonical SMILES for 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide is Cc1cc(CNC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)c(C)n1C.
What is the InChIKey of 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide?
The InChIKey is CLPASKMMDPXQBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4S/c1-14-12-17(15(2)21(14)3)13-20-19(23)16-4-6-18(7-5-16)27(24,25)22-8-10-26-11-9-22/h4-7,12H,8-11,13H2,1-3H3,(H,20,23).
What are the key properties of 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide?
4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide has a molecular weight of 391.49 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-ylsulfonyl-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzamide is sourced from PubChem (CID 110642032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).