2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide

C13H18N4O3S — CID 143129001

IUPAC2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(NC(=O)C2CCCCC2)cc1C(N)=O
InChIInChI=1S/C13H18N4O3S/c14-10(18)8-6-9(21-12(8)17-13(15)20)16-11(19)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,14,18)(H,16,19)(H3,15,17,20)
InChIKeyIGIBMTFNZVQAAP-UHFFFAOYSA-N
MW310.38 g/mol
LogP1.86
Rot. Bonds4

About 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide

2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide (PubChem CID 143129001) has the molecular formula C13H18N4O3S and a molecular weight of 310.38 g/mol. Its IUPAC name is 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide
PubChem CID143129001
Molecular FormulaC13H18N4O3S
Molecular Weight310.38 g/mol
Exact Mass310.11
IUPAC Name2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide
SMILESNC(=O)Nc1sc(NC(=O)C2CCCCC2)cc1C(N)=O
InChIInChI=1S/C13H18N4O3S/c14-10(18)8-6-9(21-12(8)17-13(15)20)16-11(19)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,14,18)(H,16,19)(H3,15,17,20)
InChIKeyIGIBMTFNZVQAAP-UHFFFAOYSA-N
XLogP1.86
TPSA127.31 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 51.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide?
The IUPAC name of 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide (CID 143129001) is 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide.
What is the SMILES notation for 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide?
The canonical SMILES for 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide is NC(=O)Nc1sc(NC(=O)C2CCCCC2)cc1C(N)=O.
What is the InChIKey of 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide?
The InChIKey is IGIBMTFNZVQAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3S/c14-10(18)8-6-9(21-12(8)17-13(15)20)16-11(19)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,14,18)(H,16,19)(H3,15,17,20).
What are the key properties of 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide?
2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)-5-(cyclohexanecarbonylamino)thiophene-3-carboxamide is sourced from PubChem (CID 143129001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).