N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide

C18H21N3O5S2 — CID 24980303

IUPACN-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C18H21N3O5S2/c1-19-18(23)13-2-4-14(5-3-13)20-16(22)12-15-6-7-17(27-15)28(24,25)21-8-10-26-11-9-21/h2-7H,8-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyCPOLSDKXVUXNGW-UHFFFAOYSA-N
MW423.52 g/mol
LogP1.31
Rot. Bonds6

About N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide

N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide (PubChem CID 24980303) has the molecular formula C18H21N3O5S2 and a molecular weight of 423.52 g/mol. Its IUPAC name is N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
PubChem CID24980303
Molecular FormulaC18H21N3O5S2
Molecular Weight423.52 g/mol
Exact Mass423.09
IUPAC NameN-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide
SMILESCNC(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1
InChIInChI=1S/C18H21N3O5S2/c1-19-18(23)13-2-4-14(5-3-13)20-16(22)12-15-6-7-17(27-15)28(24,25)21-8-10-26-11-9-21/h2-7H,8-12H2,1H3,(H,19,23)(H,20,22)
InChIKeyCPOLSDKXVUXNGW-UHFFFAOYSA-N
XLogP1.31
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2527187
N-methyl-N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide
CID 2989171
4-(dimethylamino)-N-(2-morpholin-4-yl-2-thiophen-2-ylethyl)benzamide
CID 3902828
N-[5-(diethylsulfamoyl)-2-morpholin-4-ylphenyl]-3-methylthiophene-2-carboxamide
CID 4102643
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-5-nitrothiophene-2-carboxamide
CID 4791406
4-ethyl-5-methyl-N-[2-(morpholin-4-yl)phenyl]thiophene-2-carboxamide
CID 9506651
[3-[[5-(Benzamidomethyl)thiophen-2-yl]sulfonylamino]phenyl]boronic acid
CID 52940005
N-[4-(4-morpholinylcarbonyl)phenyl]-2-thiophenecarboxamide
CID 653867
5-bromo-N-(4-methylphenyl)-4-(4-morpholinylsulfonyl)-2-thiophenecarboxamide
CID 992214
4-ethyl-5-methyl-N-[4-(4-morpholinylsulfonyl)phenyl]-3-thiophenecarboxamide
CID 1246818

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide?
The IUPAC name of N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide (CID 24980303) is N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide is CNC(=O)c1ccc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cc1.
What is the InChIKey of N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide?
The InChIKey is CPOLSDKXVUXNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5S2/c1-19-18(23)13-2-4-14(5-3-13)20-16(22)12-15-6-7-17(27-15)28(24,25)21-8-10-26-11-9-21/h2-7H,8-12H2,1H3,(H,19,23)(H,20,22).
What are the key properties of N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide?
N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide has a molecular weight of 423.52 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[2-(5-morpholin-4-ylsulfonylthiophen-2-yl)acetyl]amino]benzamide is sourced from PubChem (CID 24980303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).