N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

C16H18N2O4S2 — CID 2996512

IUPACN-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-12-2-4-13(5-3-12)17-16(19)15-10-14(11-23-15)24(20,21)18-6-8-22-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19)
InChIKeyMANLZUQQKCTQOV-UHFFFAOYSA-N
MW366.46 g/mol
LogP2.33
Rot. Bonds4

About N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide

N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (PubChem CID 2996512) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
PubChem CID2996512
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1
InChIInChI=1S/C16H18N2O4S2/c1-12-2-4-13(5-3-12)17-16(19)15-10-14(11-23-15)24(20,21)18-6-8-22-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19)
InChIKeyMANLZUQQKCTQOV-UHFFFAOYSA-N
XLogP2.33
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(morpholin-4-yl)phenyl]thiophene-3-carboxamide
CID 2813415
[2-(4-Methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate
CID 3962011
N-[4-(piperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 761867
N-[4-(4-methylpiperidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 885311
5-methyl-N-[4-(methylsulfamoyl)phenyl]thiophene-3-carboxamide
CID 1247495
N-[(4-sulfamoylphenyl)methyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 2527187
N-[5-(dimethylsulfamoyl)-2-methylphenyl]thiophene-2-carboxamide
CID 2811895
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-{[Methyl(3-methylphenyl)amino]sulfonyl}thiophene-2-carboxamide
CID 6486034

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The IUPAC name of N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide (CID 2996512) is N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)cs2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
The InChIKey is MANLZUQQKCTQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c1-12-2-4-13(5-3-12)17-16(19)15-10-14(11-23-15)24(20,21)18-6-8-22-9-7-18/h2-5,10-11H,6-9H2,1H3,(H,17,19).
What are the key properties of N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide?
N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-morpholin-4-ylsulfonylthiophene-2-carboxamide is sourced from PubChem (CID 2996512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).