1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide

C16H18N2OS — CID 115913836

IUPAC1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccsc1CNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H18N2OS/c1-11-6-9-20-14(11)10-18-15(19)16(7-8-16)12-2-4-13(17)5-3-12/h2-6,9H,7-8,10,17H2,1H3,(H,18,19)
InChIKeySKXKAUVWTAHCTP-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.99
Rot. Bonds4

About 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide

1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide (PubChem CID 115913836) has the molecular formula C16H18N2OS and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
PubChem CID115913836
Molecular FormulaC16H18N2OS
Molecular Weight286.40 g/mol
Exact Mass286.11
IUPAC Name1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide
SMILESCc1ccsc1CNC(=O)C1(c2ccc(N)cc2)CC1
InChIInChI=1S/C16H18N2OS/c1-11-6-9-20-14(11)10-18-15(19)16(7-8-16)12-2-4-13(17)5-3-12/h2-6,9H,7-8,10,17H2,1H3,(H,18,19)
InChIKeySKXKAUVWTAHCTP-UHFFFAOYSA-N
XLogP2.99
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-N-[(6-methyl-2-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 115913622
1-(4-aminophenyl)-N-[(4-methyl-3-pyridinyl)methyl]cyclopropane-1-carboxamide
CID 114955945
1-(4-aminophenyl)-N-[(1-methylpyrazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 115913896
N-[(3-methylthiophen-2-yl)methyl]adamantane-1-carboxamide
CID 32958884
1-(4-aminophenyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 115913218
2-(4-aminophenoxy)-N-[(3-methylthiophen-2-yl)methyl]acetamide
CID 78985015
1-[[[1-(4-aminophenyl)cyclopropanecarbonyl]amino]methyl]cyclopropane-1-carboxylic acid
CID 115913873
4-N-[(3-methylthiophen-2-yl)methyl]benzene-1,4-diamine
CID 22486426
1-(4-aminophenyl)-N-hexylcyclopropane-1-carboxamide
CID 112558265
1-(4-aminophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 112558317
1-(4-chlorophenyl)-N-[(2R)-2-hydroxy-2-(3-methylthiophen-2-yl)ethyl]cyclopentane-1-carboxamide
CID 95982685
1-(4-aminophenyl)-N-(2-methoxypropyl)cyclopropane-1-carboxamide
CID 102695125

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide (CID 115913836) is 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide is Cc1ccsc1CNC(=O)C1(c2ccc(N)cc2)CC1.
What is the InChIKey of 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide?
The InChIKey is SKXKAUVWTAHCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2OS/c1-11-6-9-20-14(11)10-18-15(19)16(7-8-16)12-2-4-13(17)5-3-12/h2-6,9H,7-8,10,17H2,1H3,(H,18,19).
What are the key properties of 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide?
1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide has a molecular weight of 286.40 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminophenyl)-N-[(3-methylthiophen-2-yl)methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 115913836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).