N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide

C20H18N2O3S — CID 1298832

IUPACN-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-25-17-13-15(21-20(24)18-8-5-11-26-18)9-10-16(17)22-19(23)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyCCRICXMYPXGBFK-UHFFFAOYSA-N
MW366.44 g/mol
LogP4.19
Rot. Bonds6

About N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide

N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (PubChem CID 1298832) has the molecular formula C20H18N2O3S and a molecular weight of 366.44 g/mol. Its IUPAC name is N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
PubChem CID1298832
Molecular FormulaC20H18N2O3S
Molecular Weight366.44 g/mol
Exact Mass366.10
IUPAC NameN-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccs2)ccc1NC(=O)Cc1ccccc1
InChIInChI=1S/C20H18N2O3S/c1-25-17-13-15(21-20(24)18-8-5-11-26-18)9-10-16(17)22-19(23)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23)
InChIKeyCCRICXMYPXGBFK-UHFFFAOYSA-N
XLogP4.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide (CID 1298832) is N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is COc1cc(NC(=O)c2cccs2)ccc1NC(=O)Cc1ccccc1.
What is the InChIKey of N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
The InChIKey is CCRICXMYPXGBFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3S/c1-25-17-13-15(21-20(24)18-8-5-11-26-18)9-10-16(17)22-19(23)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide?
N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide has a molecular weight of 366.44 g/mol, XLogP of 4.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1298832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).