N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide

C20H25NO3S — CID 19499174

IUPACN-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C20H25NO3S/c1-23-17-8-10-18(11-9-17)24-13-15-12-19(25-14-15)20(22)21-16-6-4-2-3-5-7-16/h8-12,14,16H,2-7,13H2,1H3,(H,21,22)
InChIKeyUXXRVEYYENCMNM-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.79
Rot. Bonds6

About N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide

N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (PubChem CID 19499174) has the molecular formula C20H25NO3S and a molecular weight of 359.49 g/mol. Its IUPAC name is N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
PubChem CID19499174
Molecular FormulaC20H25NO3S
Molecular Weight359.49 g/mol
Exact Mass359.16
IUPAC NameN-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
SMILESCOc1ccc(OCc2csc(C(=O)NC3CCCCCC3)c2)cc1
InChIInChI=1S/C20H25NO3S/c1-23-17-8-10-18(11-9-17)24-13-15-12-19(25-14-15)20(22)21-16-6-4-2-3-5-7-16/h8-12,14,16H,2-7,13H2,1H3,(H,21,22)
InChIKeyUXXRVEYYENCMNM-UHFFFAOYSA-N
XLogP4.79
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19499225
4-[(4-chlorophenoxy)methyl]-N-cyclohexylthiophene-2-carboxamide
CID 19503355
4-[(4-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19503276
4-[(4-chlorophenoxy)methyl]-N-cyclopropylthiophene-2-carboxamide
CID 19503287
N-cyclohexyl-4-(4-methoxyphenyl)thiophene-2-carboxamide
CID 3374262
4-[(3-chlorophenoxy)methyl]-N-cycloheptylthiophene-2-carboxamide
CID 19505128
N-cyclopentyl-4-[(2,5-dimethylphenoxy)methyl]thiophene-2-carboxamide
CID 19471562
N-cyclopentyl-4-[(2-ethoxyphenoxy)methyl]thiophene-2-carboxamide
CID 19486863
N-(1-methylpiperidin-4-yl)-4-[(4-nitrophenoxy)methyl]thiophene-2-carboxamide
CID 19500840
4-[(4-chloro-2-methylphenoxy)methyl]-N-cyclopentylthiophene-2-carboxamide
CID 19486629
4-[(4-fluorophenoxy)methyl]-N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)thiophene-2-carboxamide
CID 19469556
N-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-4-(phenoxymethyl)thiophene-2-carboxamide
CID 19490992

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The IUPAC name of N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide (CID 19499174) is N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The canonical SMILES for N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is COc1ccc(OCc2csc(C(=O)NC3CCCCCC3)c2)cc1.
What is the InChIKey of N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
The InChIKey is UXXRVEYYENCMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NO3S/c1-23-17-8-10-18(11-9-17)24-13-15-12-19(25-14-15)20(22)21-16-6-4-2-3-5-7-16/h8-12,14,16H,2-7,13H2,1H3,(H,21,22).
What are the key properties of N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide?
N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide has a molecular weight of 359.49 g/mol, XLogP of 4.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-[(4-methoxyphenoxy)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 19499174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).