4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide

C14H20N2O3S — CID 138053626

IUPAC4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide
SMILESCOC1(C(=O)Nc2csc(C(N)=O)c2)CCCCCC1
InChIInChI=1S/C14H20N2O3S/c1-19-14(6-4-2-3-5-7-14)13(18)16-10-8-11(12(15)17)20-9-10/h8-9H,2-7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYLMGWNNPZYWBMT-UHFFFAOYSA-N
MW296.39 g/mol
LogP2.52
Rot. Bonds4

About 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide

4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide (PubChem CID 138053626) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide
PubChem CID138053626
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC Name4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide
SMILESCOC1(C(=O)Nc2csc(C(N)=O)c2)CCCCCC1
InChIInChI=1S/C14H20N2O3S/c1-19-14(6-4-2-3-5-7-14)13(18)16-10-8-11(12(15)17)20-9-10/h8-9H,2-7H2,1H3,(H2,15,17)(H,16,18)
InChIKeyYLMGWNNPZYWBMT-UHFFFAOYSA-N
XLogP2.52
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(2-amino-2-oxoethoxy)phenyl]-1-methoxycyclohexane-1-carboxamide
CID 99822465
N-(3,5-dimethyl-4-propan-2-yloxyphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705167
ethyl 2-methoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756528
N-(4-butoxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 100703561
N-[4-[(2R)-butan-2-yl]oxy-3,5-dimethylphenyl]-1-methoxycyclohexane-1-carboxamide
CID 100704236
1-methoxy-N-(3-methyl-4-phenylmethoxyphenyl)cycloheptane-1-carboxamide
CID 100705123
N-(4-cyclopentyloxy-3-methylphenyl)-1-methoxycycloheptane-1-carboxamide
CID 100705112
[2-cyano-4-[(1-methoxycyclohexanecarbonyl)amino]phenyl] acetate
CID 100756395
N-(3-cyano-4-propan-2-yloxyphenyl)-1-methoxycyclohexane-1-carboxamide
CID 99822738
ethane;1-methoxy-N-sulfanylcyclohexane-1-carboxamide
CID 171543267
methyl 2-butoxy-5-[(1-methoxycycloheptanecarbonyl)amino]benzoate
CID 100756523
ethyl 2-[(2S)-butan-2-yl]oxy-5-[(1-methoxycyclohexanecarbonyl)amino]benzoate
CID 100756258

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide?
The IUPAC name of 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide (CID 138053626) is 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide is COC1(C(=O)Nc2csc(C(N)=O)c2)CCCCCC1.
What is the InChIKey of 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide?
The InChIKey is YLMGWNNPZYWBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-19-14(6-4-2-3-5-7-14)13(18)16-10-8-11(12(15)17)20-9-10/h8-9H,2-7H2,1H3,(H2,15,17)(H,16,18).
What are the key properties of 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide?
4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide has a molecular weight of 296.39 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methoxycycloheptanecarbonyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 138053626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).