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

C19H27ClN4OS — CID 24996595

IUPACN-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@H](CN)CC2CCCCC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C19H27ClN4OS/c1-12-15(18-16(20)11-22-24(18)2)9-17(26-12)19(25)23-14(10-21)8-13-6-4-3-5-7-13/h9,11,13-14H,3-8,10,21H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyCASAXEGORCVIBQ-AWEZNQCLSA-N
MW394.97 g/mol
LogP4.14
Rot. Bonds6

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

N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide (PubChem CID 24996595) has the molecular formula C19H27ClN4OS and a molecular weight of 394.97 g/mol. Its IUPAC name is N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide
PubChem CID24996595
Molecular FormulaC19H27ClN4OS
Molecular Weight394.97 g/mol
Exact Mass394.16
IUPAC NameN-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide
SMILESCc1sc(C(=O)N[C@H](CN)CC2CCCCC2)cc1-c1c(Cl)cnn1C
InChIInChI=1S/C19H27ClN4OS/c1-12-15(18-16(20)11-22-24(18)2)9-17(26-12)19(25)23-14(10-21)8-13-6-4-3-5-7-13/h9,11,13-14H,3-8,10,21H2,1-2H3,(H,23,25)/t14-/m0/s1
InChIKeyCASAXEGORCVIBQ-AWEZNQCLSA-N
XLogP4.14
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.97
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-5-methyl-4-(2-methylpyrazol-3-yl)thiophene-2-carboxamide
CID 24996914
N-[(2S)-1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide
CID 24993753
N-[(2S)-1-amino-3-[3-(fluoromethyl)phenyl]propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 122599574
N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(4-fluoro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide
CID 74382161
N-[(2S)-1-amino-3-(3-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide;hydrochloride
CID 46843056
(2S)-2-N-[5-chloro-4-(5-chloro-3-methyltriazol-4-yl)thiophen-2-yl]-3-cyclohexylpropane-1,2-diamine
CID 151151577
N-(1-amino-3-phenylpropan-2-yl)-4-(4-chloro-1-methylpyrazol-5-yl)-3-fluorobenzamide
CID 25050807
1-(4-chloro-1-methylpyrazol-5-yl)-2-cycloheptylethanol
CID 115836779
4-amino-N-(1-cyclopropylbutan-2-yl)-1-methylpyrazole-5-carboxamide
CID 65359425
N-[1-amino-3-[2-(trifluoromethyl)phenyl]propan-2-yl]-4-(1,4-dimethylpyrazol-5-yl)-5-ethylthiophene-2-carboxamide
CID 74381648
N-[1-amino-3-(4-fluorophenyl)propan-2-yl]-5-chloro-4-(4-chloro-1-ethylpyrazol-5-yl)thiophene-2-carboxamide
CID 76576572
N-(2-amino-1-cyclohexylethyl)-1,3-dimethylthieno[3,2-d]pyrazole-5-carboxamide
CID 119590742

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide (CID 24996595) is N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide is Cc1sc(C(=O)N[C@H](CN)CC2CCCCC2)cc1-c1c(Cl)cnn1C.
What is the InChIKey of N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide?
The InChIKey is CASAXEGORCVIBQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H27ClN4OS/c1-12-15(18-16(20)11-22-24(18)2)9-17(26-12)19(25)23-14(10-21)8-13-6-4-3-5-7-13/h9,11,13-14H,3-8,10,21H2,1-2H3,(H,23,25)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide?
N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide has a molecular weight of 394.97 g/mol, XLogP of 4.14, 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]-4-(4-chloro-1-methylpyrazol-5-yl)-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 24996595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).