N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

C19H22N4O3S — CID 51953847

IUPACN-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(NC(=O)c3ccco3)s2)n1
InChIInChI=1S/C19H22N4O3S/c1-12(11-23-14(3)9-13(2)22-23)10-20-19(25)16-6-7-17(27-16)21-18(24)15-5-4-8-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,24)/t12-/m0/s1
InChIKeyXIOWXCNLGQRLII-LBPRGKRZSA-N
MW386.48 g/mol
LogP3.47
Rot. Bonds7

About N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide

N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (PubChem CID 51953847) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
PubChem CID51953847
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
SMILESCc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(NC(=O)c3ccco3)s2)n1
InChIInChI=1S/C19H22N4O3S/c1-12(11-23-14(3)9-13(2)22-23)10-20-19(25)16-6-7-17(27-16)21-18(24)15-5-4-8-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,24)/t12-/m0/s1
InChIKeyXIOWXCNLGQRLII-LBPRGKRZSA-N
XLogP3.47
TPSA89.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
CID 40840974
N-[3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-methylfuran-3-carboxamide
CID 47042468
N-[4-methyl-5-[(2-methyl-3-pyrazol-1-ylpropyl)carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55735619
N-[5-(3-methoxypropylcarbamoyl)thiophen-2-yl]furan-2-carboxamide
CID 51330650
N-[5-[(2,5-dimethylphenyl)-ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 55591959
N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
CID 51953887
N-[5-[[4-(propan-2-ylcarbamoylamino)phenyl]methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60556284
N-[5-[(4-methylsulfonylphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 60553481
N-[5-[(3,4,5-trimethoxyphenyl)methylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 31309961
[2-(2-methylpropylamino)-2-oxoethyl] 5-(furan-2-carbonylamino)thiophene-2-carboxylate
CID 18149801

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The IUPAC name of N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide (CID 51953847) is N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(NC(=O)c3ccco3)s2)n1.
What is the InChIKey of N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
The InChIKey is XIOWXCNLGQRLII-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-12(11-23-14(3)9-13(2)22-23)10-20-19(25)16-6-7-17(27-16)21-18(24)15-5-4-8-26-15/h4-9,12H,10-11H2,1-3H3,(H,20,25)(H,21,24)/t12-/m0/s1.
What are the key properties of N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide?
N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide is sourced from PubChem (CID 51953847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).