N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide

C16H18N2O4S2 — CID 27861900

IUPACN-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H18N2O4S2/c19-16(15-2-1-11-23-15)17-12-13-3-5-14(6-4-13)24(20,21)18-7-9-22-10-8-18/h1-6,11H,7-10,12H2,(H,17,19)
InChIKeyMOPITOUBNCNXTJ-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.70
Rot. Bonds5

About N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide

N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide (PubChem CID 27861900) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
PubChem CID27861900
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC NameN-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1
InChIInChI=1S/C16H18N2O4S2/c19-16(15-2-1-11-23-15)17-12-13-3-5-14(6-4-13)24(20,21)18-7-9-22-10-8-18/h1-6,11H,7-10,12H2,(H,17,19)
InChIKeyMOPITOUBNCNXTJ-UHFFFAOYSA-N
XLogP1.70
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]thiophene-2-carboxamide
CID 18117454
N-[[1-(4-morpholin-4-ylsulfonylphenyl)piperidin-4-yl]methyl]thiophene-2-carboxamide
CID 126470422
2,6-difluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]benzamide
CID 51189803
3-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271571
2-(4-aminophenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]acetamide
CID 119690125
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
N-[(4-methoxyphenyl)methyl]-4-morpholin-4-ylsulfonylbenzamide
CID 2429764
2,6-dichloro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pyridine-4-carboxamide
CID 26662569
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 17447617
2-(aminomethyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119690150
[2-(4-morpholin-4-ylsulfonylphenyl)-2-oxoethyl] thiophene-2-carboxylate
CID 8631773

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide?
The IUPAC name of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide (CID 27861900) is N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccs1.
What is the InChIKey of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide?
The InChIKey is MOPITOUBNCNXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c19-16(15-2-1-11-23-15)17-12-13-3-5-14(6-4-13)24(20,21)18-7-9-22-10-8-18/h1-6,11H,7-10,12H2,(H,17,19).
What are the key properties of N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide?
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylsulfonylphenyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 27861900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).