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

C19H27N3O3S — CID 1460392

IUPAC2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)C2CC2)C2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C19H27N3O3S/c1-11-12(2)26-18(16(11)17(20)24)21-15(23)10-22(19(25)13-8-9-13)14-6-4-3-5-7-14/h13-14H,3-10H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyZHCHSCDUWJLRCX-UHFFFAOYSA-N
MW377.51 g/mol
LogP2.97
Rot. Bonds6

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

2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (PubChem CID 1460392) has the molecular formula C19H27N3O3S and a molecular weight of 377.51 g/mol. Its IUPAC name is 2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
PubChem CID1460392
Molecular FormulaC19H27N3O3S
Molecular Weight377.51 g/mol
Exact Mass377.18
IUPAC Name2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
SMILESCc1sc(NC(=O)CN(C(=O)C2CC2)C2CCCCC2)c(C(N)=O)c1C
InChIInChI=1S/C19H27N3O3S/c1-11-12(2)26-18(16(11)17(20)24)21-15(23)10-22(19(25)13-8-9-13)14-6-4-3-5-7-14/h13-14H,3-10H2,1-2H3,(H2,20,24)(H,21,23)
InChIKeyZHCHSCDUWJLRCX-UHFFFAOYSA-N
XLogP2.97
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.51
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide (CID 1460392) is 2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is Cc1sc(NC(=O)CN(C(=O)C2CC2)C2CCCCC2)c(C(N)=O)c1C.
What is the InChIKey of 2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
The InChIKey is ZHCHSCDUWJLRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3S/c1-11-12(2)26-18(16(11)17(20)24)21-15(23)10-22(19(25)13-8-9-13)14-6-4-3-5-7-14/h13-14H,3-10H2,1-2H3,(H2,20,24)(H,21,23).
What are the key properties of 2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide?
2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide has a molecular weight of 377.51 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[cyclohexyl(cyclopropanecarbonyl)amino]acetyl]amino]-4,5-dimethylthiophene-3-carboxamide is sourced from PubChem (CID 1460392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).