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

C23H21N3O3S — CID 24653539

IUPACN-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1cccc(NC(=O)C2CC2)c1)c1cccs1
InChIInChI=1S/C23H21N3O3S/c27-21(16-10-11-16)25-17-6-3-5-15(13-17)14-24-22(28)18-7-1-2-8-19(18)26-23(29)20-9-4-12-30-20/h1-9,12-13,16H,10-11,14H2,(H,24,28)(H,25,27)(H,26,29)
InChIKeyPEQSNUSGOUONCM-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.28
Rot. Bonds7

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

N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 24653539) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID24653539
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccccc1C(=O)NCc1cccc(NC(=O)C2CC2)c1)c1cccs1
InChIInChI=1S/C23H21N3O3S/c27-21(16-10-11-16)25-17-6-3-5-15(13-17)14-24-22(28)18-7-1-2-8-19(18)26-23(29)20-9-4-12-30-20/h1-9,12-13,16H,10-11,14H2,(H,24,28)(H,25,27)(H,26,29)
InChIKeyPEQSNUSGOUONCM-UHFFFAOYSA-N
XLogP4.28
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-[2-(pyridin-4-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 24653521
5-(cyclopropanecarbonylamino)-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]thiophene-2-carboxamide
CID 17492769
N-[2-[(4-chlorophenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 23913368
2-amino-N-[[3-(cyclobutanecarbonylamino)phenyl]methyl]benzamide
CID 119944325
N-[4-[[4-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 24682821
N-[3-(cyclobutanecarbonylamino)phenyl]thiophene-2-carboxamide
CID 31518537
N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
N-[2-(2-phenylethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 2992339
N-[[3-(cyclohexanecarbonylamino)phenyl]methyl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 71884647
1-(thiophene-2-carbonyl)-N-[3-(thiophene-2-carbonylamino)phenyl]piperidine-4-carboxamide
CID 31520919
2-bromo-N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-4-fluorobenzamide
CID 17493855

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide (CID 24653539) is N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is O=C(Nc1ccccc1C(=O)NCc1cccc(NC(=O)C2CC2)c1)c1cccs1.
What is the InChIKey of N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is PEQSNUSGOUONCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c27-21(16-10-11-16)25-17-6-3-5-15(13-17)14-24-22(28)18-7-1-2-8-19(18)26-23(29)20-9-4-12-30-20/h1-9,12-13,16H,10-11,14H2,(H,24,28)(H,25,27)(H,26,29).
What are the key properties of N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide?
N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 419.51 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3-(cyclopropanecarbonylamino)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 24653539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).