3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide

C26H28N4O5S — CID 22291112

IUPAC3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C26H28N4O5S/c1-18-9-10-21(27-25(31)20-6-4-8-23(16-20)30-11-13-35-14-12-30)17-24(18)28-26(32)19-5-3-7-22(15-19)29-36(2,33)34/h3-10,15-17,29H,11-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyOVQAEFHPMPROSC-UHFFFAOYSA-N
MW508.60 g/mol
LogP3.71
Rot. Bonds7

About 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide

3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide (PubChem CID 22291112) has the molecular formula C26H28N4O5S and a molecular weight of 508.60 g/mol. Its IUPAC name is 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
PubChem CID22291112
Molecular FormulaC26H28N4O5S
Molecular Weight508.60 g/mol
Exact Mass508.18
IUPAC Name3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide
SMILESCc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1
InChIInChI=1S/C26H28N4O5S/c1-18-9-10-21(27-25(31)20-6-4-8-23(16-20)30-11-13-35-14-12-30)17-24(18)28-26(32)19-5-3-7-22(15-19)29-36(2,33)34/h3-10,15-17,29H,11-14H2,1-2H3,(H,27,31)(H,28,32)
InChIKeyOVQAEFHPMPROSC-UHFFFAOYSA-N
XLogP3.71
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.60
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]thiophene-2-carboxamide
CID 11327642
N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]-3-piperidin-4-ylbenzamide
CID 142647198
N-[5-[[3-(dimethylamino)benzoyl]amino]-2-methylphenyl]-3-(methanesulfonamido)benzamide
CID 22291070
4-methyl-3-[[3-[(4-methylpiperazin-1-yl)methyl]benzoyl]amino]-N-(3-morpholin-4-ylphenyl)benzamide
CID 22636122
N-(3-iodo-4-methylphenyl)-3-(methanesulfonamido)benzamide
CID 31489648
3-bromo-N-(3-morpholin-4-ylphenyl)benzamide
CID 110362330
3-(carbamoylamino)-N-(3-morpholin-4-ylphenyl)benzamide
CID 86821869
3-cyano-N-(2-methyl-5-morpholin-4-ylphenyl)benzamide
CID 110362455
tert-butyl 4-[4-[[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]carbamoyl]phenoxy]piperidine-1-carboxylate
CID 22291050
3-[4-(diethylaminomethyl)anilino]-4-methyl-N-(3-morpholin-4-ylphenyl)benzamide
CID 70208034
2-(methanesulfonamido)-N-(4-morpholin-4-ylphenyl)benzamide
CID 100519885
3-benzamido-4-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 55631501

Frequently Asked Questions

What is the IUPAC name of 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide?
The IUPAC name of 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide (CID 22291112) is 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide.
What is the SMILES notation for 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide?
The canonical SMILES for 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide is Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1cccc(NS(C)(=O)=O)c1.
What is the InChIKey of 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide?
The InChIKey is OVQAEFHPMPROSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5S/c1-18-9-10-21(27-25(31)20-6-4-8-23(16-20)30-11-13-35-14-12-30)17-24(18)28-26(32)19-5-3-7-22(15-19)29-36(2,33)34/h3-10,15-17,29H,11-14H2,1-2H3,(H,27,31)(H,28,32).
What are the key properties of 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide?
3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide has a molecular weight of 508.60 g/mol, XLogP of 3.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methanesulfonamido)-N-[2-methyl-5-[(3-morpholin-4-ylbenzoyl)amino]phenyl]benzamide is sourced from PubChem (CID 22291112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).