1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid

C16H22N2O4S — CID 120539260

IUPAC1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CCNC(=O)c1cccs1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O4S/c1-18(16(15(21)22)8-3-2-4-9-16)13(19)7-10-17-14(20)12-6-5-11-23-12/h5-6,11H,2-4,7-10H2,1H3,(H,17,20)(H,21,22)
InChIKeyBJSVGUJRDOPUOP-UHFFFAOYSA-N
MW338.43 g/mol
LogP2.11
Rot. Bonds6

About 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid

1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid (PubChem CID 120539260) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
PubChem CID120539260
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC Name1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)CCNC(=O)c1cccs1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C16H22N2O4S/c1-18(16(15(21)22)8-3-2-4-9-16)13(19)7-10-17-14(20)12-6-5-11-23-12/h5-6,11H,2-4,7-10H2,1H3,(H,17,20)(H,21,22)
InChIKeyBJSVGUJRDOPUOP-UHFFFAOYSA-N
XLogP2.11
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[methyl(4-thiophen-2-ylbutanoyl)amino]cyclohexane-1-carboxylic acid
CID 120540062
N-[3-[(1-hydroxycycloheptyl)methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 111428615
N-[3-[methyl(1-phenylethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 51188243
2-[methyl-[4-(thiophene-2-carbonylamino)butanoyl]amino]acetic acid
CID 43171140
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
methyl 2-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]acetate
CID 61383225
N-[2-[cyclohexyl(methyl)amino]ethyl]thiophene-2-carboxamide
CID 86848703
N-[[1-(hydroxymethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 110416723
3-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62825794
1-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoyl]amino]cyclohexane-1-carboxylic acid
CID 120539581
2-[1-[3-(thiophene-2-carbonylamino)propanoylamino]cyclobutyl]acetic acid
CID 79844638
[1-(dimethylamino)cyclopentyl]-thiophen-2-ylmethanone
CID 79067610

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid (CID 120539260) is 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid is CN(C(=O)CCNC(=O)c1cccs1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
The InChIKey is BJSVGUJRDOPUOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-18(16(15(21)22)8-3-2-4-9-16)13(19)7-10-17-14(20)12-6-5-11-23-12/h5-6,11H,2-4,7-10H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid?
1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid has a molecular weight of 338.43 g/mol, XLogP of 2.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).