5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

C21H20N2O3S2 — CID 86916933

IUPAC5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(NC(=O)C3CC3)s2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-26-16-8-6-15(7-9-16)23(13-17-3-2-12-27-17)21(25)18-10-11-19(28-18)22-20(24)14-4-5-14/h2-3,6-12,14H,4-5,13H2,1H3,(H,22,24)
InChIKeySIKULTWGBJBYLF-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.01
Rot. Bonds7

About 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (PubChem CID 86916933) has the molecular formula C21H20N2O3S2 and a molecular weight of 412.54 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
PubChem CID86916933
Molecular FormulaC21H20N2O3S2
Molecular Weight412.54 g/mol
Exact Mass412.09
IUPAC Name5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
SMILESCOc1ccc(N(Cc2cccs2)C(=O)c2ccc(NC(=O)C3CC3)s2)cc1
InChIInChI=1S/C21H20N2O3S2/c1-26-16-8-6-15(7-9-16)23(13-17-3-2-12-27-17)21(25)18-10-11-19(28-18)22-20(24)14-4-5-14/h2-3,6-12,14H,4-5,13H2,1H3,(H,22,24)
InChIKeySIKULTWGBJBYLF-UHFFFAOYSA-N
XLogP5.01
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-ethoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17013288
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-1,3-benzodioxole-4-carboxamide
CID 55966655
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)-N-(thiophen-2-ylmethyl)piperidine-4-carboxamide
CID 55757398
cis-(1R,2S)-2-[(4-methoxyphenyl)-(thiophen-2-ylmethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 129467519
(3S)-1-cyclopentyl-N-(4-methoxyphenyl)-5-oxo-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide
CID 9119491
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)hexa-2,4-dienamide
CID 76858086
N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134012847
N-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 17010905
N-(4-methoxyphenyl)-3-piperidin-4-yl-N-(thiophen-2-ylmethyl)butanamide;hydrochloride
CID 119688269
N-cyclopropyl-5-(phenylcarbamoylamino)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide
CID 78852310
2-[[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]-methylamino]-N-propylacetamide
CID 8790102
ethyl-[2-(ethylamino)-2-oxoethyl]-[2-[4-methoxy-N-(thiophen-2-ylmethyl)anilino]-2-oxoethyl]azanium
CID 8683482

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide (CID 86916933) is 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is COc1ccc(N(Cc2cccs2)C(=O)c2ccc(NC(=O)C3CC3)s2)cc1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
The InChIKey is SIKULTWGBJBYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S2/c1-26-16-8-6-15(7-9-16)23(13-17-3-2-12-27-17)21(25)18-10-11-19(28-18)22-20(24)14-4-5-14/h2-3,6-12,14H,4-5,13H2,1H3,(H,22,24).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide has a molecular weight of 412.54 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(4-methoxyphenyl)-N-(thiophen-2-ylmethyl)thiophene-2-carboxamide is sourced from PubChem (CID 86916933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).