N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide

C27H24N2O3S — CID 60553572

IUPACN-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccc(COCc2ccccc2)cc1)c1ccsc1
InChIInChI=1S/C27H24N2O3S/c30-26(23-14-15-33-19-23)29-25-9-5-4-8-24(25)27(31)28-16-20-10-12-22(13-11-20)18-32-17-21-6-2-1-3-7-21/h1-15,19H,16-18H2,(H,28,31)(H,29,30)
InChIKeyOCCSYCYLMYDHKR-UHFFFAOYSA-N
MW456.57 g/mol
LogP5.65
Rot. Bonds9

About N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide

N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide (PubChem CID 60553572) has the molecular formula C27H24N2O3S and a molecular weight of 456.57 g/mol. Its IUPAC name is N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
PubChem CID60553572
Molecular FormulaC27H24N2O3S
Molecular Weight456.57 g/mol
Exact Mass456.15
IUPAC NameN-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1ccc(COCc2ccccc2)cc1)c1ccsc1
InChIInChI=1S/C27H24N2O3S/c30-26(23-14-15-33-19-23)29-25-9-5-4-8-24(25)27(31)28-16-20-10-12-22(13-11-20)18-32-17-21-6-2-1-3-7-21/h1-15,19H,16-18H2,(H,28,31)(H,29,30)
InChIKeyOCCSYCYLMYDHKR-UHFFFAOYSA-N
XLogP5.65
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.57
LogP ≤ 55.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(3-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 17464042
N-benzyl-2-[(4-fluorobenzoyl)amino]benzamide
CID 895615
N-[[4-(ethoxymethyl)phenyl]methyl]thiophene-3-carboxamide
CID 37358196
N-benzyl-2-[(4-bromobenzoyl)amino]benzamide
CID 17256451
N-benzyl-2-[[4-(2-phenoxyethoxy)benzoyl]amino]benzamide
CID 4952787
N-[(4-hydroxyphenyl)methyl]thiophene-3-carboxamide
CID 47148514
N-[2-(benzylcarbamoyl)phenyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100703574
2-benzamido-N-[(3,5-dimethoxyphenyl)methyl]benzamide
CID 55576558
N-benzyl-2-[(4-prop-2-enoxybenzoyl)amino]benzamide
CID 4945203
N-[2-[2-(4-chlorophenoxy)ethylcarbamoyl]phenyl]thiophene-3-carboxamide
CID 55455576
N-[2-[[2-(diethylamino)-2-phenylethyl]carbamoyl]phenyl]thiophene-3-carboxamide
CID 55522622
N-benzyl-2-[[4-(2-ethoxyethoxy)benzoyl]amino]benzamide
CID 17112651

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide?
The IUPAC name of N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide (CID 60553572) is N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide?
The canonical SMILES for N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide is O=C(Nc1ccccc1C(=O)NCc1ccc(COCc2ccccc2)cc1)c1ccsc1.
What is the InChIKey of N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide?
The InChIKey is OCCSYCYLMYDHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N2O3S/c30-26(23-14-15-33-19-23)29-25-9-5-4-8-24(25)27(31)28-16-20-10-12-22(13-11-20)18-32-17-21-6-2-1-3-7-21/h1-15,19H,16-18H2,(H,28,31)(H,29,30).
What are the key properties of N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide?
N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 5.65, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(phenylmethoxymethyl)phenyl]methylcarbamoyl]phenyl]thiophene-3-carboxamide is sourced from PubChem (CID 60553572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).