N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide

C22H25FN2O2S — CID 135283463

IUPACN-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C22H25FN2O2S/c1-13-7-9-25(10-8-13)22(27)20-6-5-19(28-20)17-11-15(12-18(23)14(17)2)21(26)24-16-3-4-16/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyRQXPSZVHIIANEN-UHFFFAOYSA-N
MW400.52 g/mol
LogP4.63
Rot. Bonds4

About N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide

N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide (PubChem CID 135283463) has the molecular formula C22H25FN2O2S and a molecular weight of 400.52 g/mol. Its IUPAC name is N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide
PubChem CID135283463
Molecular FormulaC22H25FN2O2S
Molecular Weight400.52 g/mol
Exact Mass400.16
IUPAC NameN-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide
SMILESCc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)s1
InChIInChI=1S/C22H25FN2O2S/c1-13-7-9-25(10-8-13)22(27)20-6-5-19(28-20)17-11-15(12-18(23)14(17)2)21(26)24-16-3-4-16/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,24,26)
InChIKeyRQXPSZVHIIANEN-UHFFFAOYSA-N
XLogP4.63
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.52
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(E)-2-(4-fluorophenyl)-3-thiophen-2-ylprop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 60198582
N1-[1-(2-thienylcarbonyl)-4-piperidyl]benzamide
CID 2729508
N-[1-(3,4-dimethylphenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 2971490
N-[1-(2,4-difluorophenyl)ethyl]-2-[4-(thiophene-2-carbonyl)piperazin-1-yl]acetamide
CID 16281807
3-Oxo-2-propyl-N-[1-(thiophen-2-YL)ethyl]-2,3-dihydro-1H-isoindole-4-carboxamide
CID 9551005
N,N-Diethyl-4-(piperidin-4-ylidene-thiophen-2-yl-methyl)-benzamide
CID 10760626
N-(1-(naphthalen-1-yl)ethyl)-5-(2,2,2-trifluoroacetyl)thiophene-2-carboxamide
CID 44589734
N-[1-(3,4-dimethylphenyl)ethyl]-5-methylthiophene-2-carboxamide
CID 2933240
US9776991, Example 31
CID 118112815
US9776991, Example 6
CID 135236076
2-methyl-N-[1-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]piperidin-4-yl]benzamide
CID 1436831
4-fluoro-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]benzamide
CID 3235762

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide (CID 135283463) is N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide is Cc1c(F)cc(C(=O)NC2CC2)cc1-c1ccc(C(=O)N2CCC(C)CC2)s1.
What is the InChIKey of N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide?
The InChIKey is RQXPSZVHIIANEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN2O2S/c1-13-7-9-25(10-8-13)22(27)20-6-5-19(28-20)17-11-15(12-18(23)14(17)2)21(26)24-16-3-4-16/h5-6,11-13,16H,3-4,7-10H2,1-2H3,(H,24,26).
What are the key properties of N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide?
N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide has a molecular weight of 400.52 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-fluoro-4-methyl-5-[5-(4-methylpiperidine-1-carbonyl)thiophen-2-yl]benzamide is sourced from PubChem (CID 135283463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).