2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

C19H29N3O3S — CID 1460380

IUPAC2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)C(C)C)C2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C19H29N3O3S/c1-11(2)19(25)22(14-8-6-5-7-9-14)10-15(23)21-18-16(17(20)24)12(3)13(4)26-18/h11,14H,5-10H2,1-4H3,(H2,20,24)(H,21,23)
InChIKeyPTTJIZMDFLDLIJ-UHFFFAOYSA-N
MW379.53 g/mol
LogP3.22
Rot. Bonds6

About 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide

2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1460380) has the molecular formula C19H29N3O3S and a molecular weight of 379.53 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1460380
Molecular FormulaC19H29N3O3S
Molecular Weight379.53 g/mol
Exact Mass379.19
IUPAC Name2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)C(C)C)C2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C19H29N3O3S/c1-11(2)19(25)22(14-8-6-5-7-9-14)10-15(23)21-18-16(17(20)24)12(3)13(4)26-18/h11,14H,5-10H2,1-4H3,(H2,20,24)(H,21,23)
InChIKeyPTTJIZMDFLDLIJ-UHFFFAOYSA-N
XLogP3.22
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 1460380) is 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN(C(=O)C(C)C)C2CCCCC2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is PTTJIZMDFLDLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3S/c1-11(2)19(25)22(14-8-6-5-7-9-14)10-15(23)21-18-16(17(20)24)12(3)13(4)26-18/h11,14H,5-10H2,1-4H3,(H2,20,24)(H,21,23).
What are the key properties of 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 379.53 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl(2-methylpropanoyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1460380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).