5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

C21H27N3O3S — CID 86886999

IUPAC5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N(Cc1ccco1)C1CCN(C)CC1
InChIInChI=1S/C21H27N3O3S/c1-14-12-18(22-20(25)15-5-6-15)28-19(14)21(26)24(13-17-4-3-11-27-17)16-7-9-23(2)10-8-16/h3-4,11-12,15-16H,5-10,13H2,1-2H3,(H,22,25)
InChIKeyZWEYNYSDFITIEF-UHFFFAOYSA-N
MW401.53 g/mol
LogP3.73
Rot. Bonds6

About 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide

5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (PubChem CID 86886999) has the molecular formula C21H27N3O3S and a molecular weight of 401.53 g/mol. Its IUPAC name is 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
PubChem CID86886999
Molecular FormulaC21H27N3O3S
Molecular Weight401.53 g/mol
Exact Mass401.18
IUPAC Name5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)sc1C(=O)N(Cc1ccco1)C1CCN(C)CC1
InChIInChI=1S/C21H27N3O3S/c1-14-12-18(22-20(25)15-5-6-15)28-19(14)21(26)24(13-17-4-3-11-27-17)16-7-9-23(2)10-8-16/h3-4,11-12,15-16H,5-10,13H2,1-2H3,(H,22,25)
InChIKeyZWEYNYSDFITIEF-UHFFFAOYSA-N
XLogP3.73
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.53
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide with MolForge

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Related Compounds

2-[cyclopropyl-[5-(furan-2-carbonylamino)-3-methylthiophene-2-carbonyl]amino]acetic acid
CID 119195335
N-[5-[cyclopentyl(ethyl)carbamoyl]-4-methylthiophen-2-yl]furan-2-carboxamide
CID 134061007
5-(cyclopropanecarbonylamino)-3-methyl-N-propyl-N-(2-thiophen-2-ylethyl)thiophene-2-carboxamide
CID 99821944
N-cyclopentyl-4-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)benzamide
CID 86926762
4-(dimethylamino)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)pyridine-2-carboxamide
CID 86804672
N-[5-(4-ethylpiperazine-1-carbonyl)-4-methylthiophen-2-yl]cyclopropanecarboxamide
CID 78833699
3-[(3,4-dimethylphenyl)sulfonylamino]-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)propanamide
CID 86945665
N-[3-[benzyl(methyl)amino]propyl]-5-(cyclopropanecarbonylamino)-3-methylthiophene-2-carboxamide
CID 86915687
cis-(1R,2S)-N-(furan-2-ylmethyl)-N-(1-methylpiperidin-4-yl)-2-phenylcyclopropane-1-carboxamide
CID 96998764
ethyl 3-methyl-5-[(1-methylpyrrolidine-3-carbonyl)amino]thiophene-2-carboxylate
CID 60921466
N-(furan-2-ylmethyl)-3-[(3-methylphenyl)methoxy]-N-(1-methylpiperidin-4-yl)benzamide
CID 112819893
5-(cyclopropanecarbonylamino)-N-[4-(cyclopropanecarbonylamino)phenyl]-3-methylthiophene-2-carboxamide
CID 41266546

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide (CID 86886999) is 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)sc1C(=O)N(Cc1ccco1)C1CCN(C)CC1.
What is the InChIKey of 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
The InChIKey is ZWEYNYSDFITIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3S/c1-14-12-18(22-20(25)15-5-6-15)28-19(14)21(26)24(13-17-4-3-11-27-17)16-7-9-23(2)10-8-16/h3-4,11-12,15-16H,5-10,13H2,1-2H3,(H,22,25).
What are the key properties of 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide?
5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide has a molecular weight of 401.53 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonylamino)-N-(furan-2-ylmethyl)-3-methyl-N-(1-methylpiperidin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 86886999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).