N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

C19H28N4OS — CID 24996914

IUPACN-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@H](CN)CC2CCCCC2)cc1-c1ccnn1C
InChIInChI=1S/C19H28N4OS/c1-13-16(17-8-9-21-23(17)2)11-18(25-13)19(24)22-15(12-20)10-14-6-4-3-5-7-14/h8-9,11,14-15H,3-7,10,12,20H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyVKDYXCUSTNNONN-HNNXBMFYSA-N
MW360.53 g/mol
LogP3.48
Rot. Bonds6

About N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide

N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (PubChem CID 24996914) has the molecular formula C19H28N4OS and a molecular weight of 360.53 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
PubChem CID24996914
Molecular FormulaC19H28N4OS
Molecular Weight360.53 g/mol
Exact Mass360.20
IUPAC NameN-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@H](CN)CC2CCCCC2)cc1-c1ccnn1C
InChIInChI=1S/C19H28N4OS/c1-13-16(17-8-9-21-23(17)2)11-18(25-13)19(24)22-15(12-20)10-14-6-4-3-5-7-14/h8-9,11,14-15H,3-7,10,12,20H2,1-2H3,(H,22,24)/t15-/m0/s1
InChIKeyVKDYXCUSTNNONN-HNNXBMFYSA-N
XLogP3.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide (CID 24996914) is N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is Cc1sc(C(=O)N[C@H](CN)CC2CCCCC2)cc1-c1ccnn1C.
What is the InChIKey of N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
The InChIKey is VKDYXCUSTNNONN-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4OS/c1-13-16(17-8-9-21-23(17)2)11-18(25-13)19(24)22-15(12-20)10-14-6-4-3-5-7-14/h8-9,11,14-15H,3-7,10,12,20H2,1-2H3,(H,22,24)/t15-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide?
N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide has a molecular weight of 360.53 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide is sourced from PubChem (CID 24996914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).