carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide

C21H25FN2O5S — CID 70089760

IUPACcarbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)c(NC(=O)C2CCCCC2)s1.O=C(O)O
InChIInChI=1S/C20H23FN2O2S.CH2O3/c1-13-11-17(19(25)22-12-14-7-9-16(21)10-8-14)20(26-13)23-18(24)15-5-3-2-4-6-15;2-1(3)4/h7-11,15H,2-6,12H2,1H3,(H,22,25)(H,23,24);(H2,2,3,4)
InChIKeyOAQDSQYGGRABNZ-UHFFFAOYSA-N
MW436.51 g/mol
LogP4.87
Rot. Bonds5

About carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide

carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide (PubChem CID 70089760) has the molecular formula C21H25FN2O5S and a molecular weight of 436.51 g/mol. Its IUPAC name is carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide.

Molecular Properties

Compound Namecarbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide
PubChem CID70089760
Molecular FormulaC21H25FN2O5S
Molecular Weight436.51 g/mol
Exact Mass436.15
IUPAC Namecarbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide
SMILESCc1cc(C(=O)NCc2ccc(F)cc2)c(NC(=O)C2CCCCC2)s1.O=C(O)O
InChIInChI=1S/C20H23FN2O2S.CH2O3/c1-13-11-17(19(25)22-12-14-7-9-16(21)10-8-14)20(26-13)23-18(24)15-5-3-2-4-6-15;2-1(3)4/h7-11,15H,2-6,12H2,1H3,(H,22,25)(H,23,24);(H2,2,3,4)
InChIKeyOAQDSQYGGRABNZ-UHFFFAOYSA-N
XLogP4.87
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 54.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chloro-4-methoxyphenyl)methyl]-2-(cyclohexanecarbonylamino)-5-methylthiophene-3-carboxamide
CID 70086267
methyl 4-[[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)-5-methylthiophen-2-yl]carbamoyl]cyclohexane-1-carboxylate
CID 22133036
2-(cyclohexanecarbonylamino)-N-[(3,4-dimethoxyphenyl)methyl]-5-ethylthiophene-3-carboxamide
CID 70219372
N-[[4-[(4-fluorophenyl)methylcarbamoylamino]phenyl]methyl]cyclopentanecarboxamide
CID 156825046
5-(cyclobutanecarbonylamino)-2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]benzamide
CID 42678121
4-[4-(cyclopentanecarbonylamino)-2-[(4-fluorophenyl)methylcarbamoyl]phenyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 42678620
4-N-(2,6-dimethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148442
N-[6-[(4-fluorophenyl)methylamino]-3-pyridinyl]cyclohexanecarboxamide
CID 113012101
N-[(4-fluorophenyl)methyl]-1-methylpiperidine-4-carboxamide
CID 70985646
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]cyclohexanecarboxamide
CID 108538634
5-(cyclobutanecarbonylamino)-N-[(4-fluorophenyl)methyl]-2-[4-(3-methylbutanoyl)piperazin-1-yl]benzamide
CID 42678066
4-N-(4-ethylphenyl)-1-N-[(4-fluorophenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148445

Frequently Asked Questions

What is the IUPAC name of carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide?
The IUPAC name of carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide (CID 70089760) is carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide.
What is the SMILES notation for carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide?
The canonical SMILES for carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide is Cc1cc(C(=O)NCc2ccc(F)cc2)c(NC(=O)C2CCCCC2)s1.O=C(O)O.
What is the InChIKey of carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide?
The InChIKey is OAQDSQYGGRABNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2S.CH2O3/c1-13-11-17(19(25)22-12-14-7-9-16(21)10-8-14)20(26-13)23-18(24)15-5-3-2-4-6-15;2-1(3)4/h7-11,15H,2-6,12H2,1H3,(H,22,25)(H,23,24);(H2,2,3,4).
What are the key properties of carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide?
carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide has a molecular weight of 436.51 g/mol, XLogP of 4.87, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;2-(cyclohexanecarbonylamino)-N-[(4-fluorophenyl)methyl]-5-methylthiophene-3-carboxamide is sourced from PubChem (CID 70089760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).