N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide

C18H21N3O2S — CID 119309327

IUPACN-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide
SMILESNC1(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CCCCC1
InChIInChI=1S/C18H21N3O2S/c19-18(10-2-1-3-11-18)17(23)21-14-8-6-13(7-9-14)20-16(22)15-5-4-12-24-15/h4-9,12H,1-3,10-11,19H2,(H,20,22)(H,21,23)
InChIKeyFPMDODDMUXVRQB-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.60
Rot. Bonds4

About N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide

N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 119309327) has the molecular formula C18H21N3O2S and a molecular weight of 343.45 g/mol. Its IUPAC name is N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID119309327
Molecular FormulaC18H21N3O2S
Molecular Weight343.45 g/mol
Exact Mass343.14
IUPAC NameN-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide
SMILESNC1(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CCCCC1
InChIInChI=1S/C18H21N3O2S/c19-18(10-2-1-3-11-18)17(23)21-14-8-6-13(7-9-14)20-16(22)15-5-4-12-24-15/h4-9,12H,1-3,10-11,19H2,(H,20,22)(H,21,23)
InChIKeyFPMDODDMUXVRQB-UHFFFAOYSA-N
XLogP3.60
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide (CID 119309327) is N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide is NC1(C(=O)Nc2ccc(NC(=O)c3cccs3)cc2)CCCCC1.
What is the InChIKey of N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is FPMDODDMUXVRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2S/c19-18(10-2-1-3-11-18)17(23)21-14-8-6-13(7-9-14)20-16(22)15-5-4-12-24-15/h4-9,12H,1-3,10-11,19H2,(H,20,22)(H,21,23).
What are the key properties of N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide?
N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 343.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-aminocyclohexanecarbonyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 119309327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).