N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide

C16H16N2O2S — CID 977091

IUPACN-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-10-9-12(17-15(19)11-4-5-11)6-7-13(10)18-16(20)14-3-2-8-21-14/h2-3,6-9,11H,4-5H2,1H3,(H,17,19)(H,18,20)
InChIKeyHWTXSKKOEMNJJQ-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.66
Rot. Bonds4

About N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide

N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide (PubChem CID 977091) has the molecular formula C16H16N2O2S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide
PubChem CID977091
Molecular FormulaC16H16N2O2S
Molecular Weight300.38 g/mol
Exact Mass300.09
IUPAC NameN-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide
SMILESCc1cc(NC(=O)C2CC2)ccc1NC(=O)c1cccs1
InChIInChI=1S/C16H16N2O2S/c1-10-9-12(17-15(19)11-4-5-11)6-7-13(10)18-16(20)14-3-2-8-21-14/h2-3,6-9,11H,4-5H2,1H3,(H,17,19)(H,18,20)
InChIKeyHWTXSKKOEMNJJQ-UHFFFAOYSA-N
XLogP3.66
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide (CID 977091) is N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide is Cc1cc(NC(=O)C2CC2)ccc1NC(=O)c1cccs1.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide?
The InChIKey is HWTXSKKOEMNJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O2S/c1-10-9-12(17-15(19)11-4-5-11)6-7-13(10)18-16(20)14-3-2-8-21-14/h2-3,6-9,11H,4-5H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide?
N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)-2-methylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 977091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).