N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

C14H18N4O4S2 — CID 27260606

IUPACN-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)cs2)no1
InChIInChI=1S/C14H18N4O4S2/c1-10-7-13(16-22-10)15-14(19)12-8-11(9-23-12)24(20,21)18-5-3-17(2)4-6-18/h7-9H,3-6H2,1-2H3,(H,15,16,19)
InChIKeySCQVTPNUOIGQOB-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.23
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (PubChem CID 27260606) has the molecular formula C14H18N4O4S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
PubChem CID27260606
Molecular FormulaC14H18N4O4S2
Molecular Weight370.46 g/mol
Exact Mass370.08
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide
SMILESCc1cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)cs2)no1
InChIInChI=1S/C14H18N4O4S2/c1-10-7-13(16-22-10)15-14(19)12-8-11(9-23-12)24(20,21)18-5-3-17(2)4-6-18/h7-9H,3-6H2,1-2H3,(H,15,16,19)
InChIKeySCQVTPNUOIGQOB-UHFFFAOYSA-N
XLogP1.23
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-Methyl-3-isoxazolyl)-2-thiophenecarboxamide
CID 670281
N-(5-tert-butyl-1,2-oxazol-3-yl)thiophene-2-carboxamide
CID 1245228
Pentanedioic acid (5-methyl-isoxazol-3-yl)-amide (thiophen-2-ylmethyl)-amide
CID 652358
N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
CID 53498579
2-[(3-butyl-4-oxo-3,4-dihydrothieno[3,2-d]pyrimidin-2-yl)thio]-N-(5-methylisoxazol-3-yl)acetamide
CID 3236293
1-(5-Methyl-1,2-oxazol-3-yl)-3-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]urea
CID 32059804
N-(5-methyl-1,2-oxazol-3-yl)-1-(5-methylthiophen-2-yl)sulfonylpiperidine-3-carboxamide
CID 42940422
N-(5-methylisoxazol-3-yl)-2-(6-oxo-4-(thiophen-2-yl)pyrimidin-1(6H)-yl)acetamide
CID 49669745
N-(4-{[(5-methylisoxazol-3-yl)amino]sulfonyl}phenyl)thiophene-2-carboxamide
CID 1010380
N1-(5-methylisoxazol-3-yl)-N2-((1-(thiophen-2-ylmethyl)piperidin-4-yl)methyl)oxalamide
CID 16887347
N1-(2-(dimethylamino)-2-(thiophen-2-yl)ethyl)-N2-(5-methylisoxazol-3-yl)oxalamide
CID 18589135
N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-oxo-2-thiophen-2-ylethyl)piperazin-1-yl]acetamide
CID 45503062

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide (CID 27260606) is N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is Cc1cc(NC(=O)c2cc(S(=O)(=O)N3CCN(C)CC3)cs2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
The InChIKey is SCQVTPNUOIGQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4S2/c1-10-7-13(16-22-10)15-14(19)12-8-11(9-23-12)24(20,21)18-5-3-17(2)4-6-18/h7-9H,3-6H2,1-2H3,(H,15,16,19).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 1.23, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-4-(4-methylpiperazin-1-yl)sulfonylthiophene-2-carboxamide is sourced from PubChem (CID 27260606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).