N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

C21H20N2O3S — CID 34368537

IUPACN-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCOc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-2-11-26-18-9-4-8-17(14-18)22-20(24)15-6-3-7-16(13-15)23-21(25)19-10-5-12-27-19/h3-10,12-14H,2,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyIDMCLVXYGHWCTM-UHFFFAOYSA-N
MW380.47 g/mol
LogP5.04
Rot. Bonds7

About N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide

N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (PubChem CID 34368537) has the molecular formula C21H20N2O3S and a molecular weight of 380.47 g/mol. Its IUPAC name is N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
PubChem CID34368537
Molecular FormulaC21H20N2O3S
Molecular Weight380.47 g/mol
Exact Mass380.12
IUPAC NameN-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
SMILESCCCOc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1
InChIInChI=1S/C21H20N2O3S/c1-2-11-26-18-9-4-8-17(14-18)22-20(24)15-6-3-7-16(13-15)23-21(25)19-10-5-12-27-19/h3-10,12-14H,2,11H2,1H3,(H,22,24)(H,23,25)
InChIKeyIDMCLVXYGHWCTM-UHFFFAOYSA-N
XLogP5.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.47
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N-(3-propoxyphenyl)benzamide
CID 17096771
N-[3-(2-phenoxyethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27758223
N-propan-2-yl-3-[(3-propoxybenzoyl)amino]benzamide
CID 17197490
2-(4-ethoxyphenoxy)ethyl 3-(thiophene-2-carbonylamino)benzoate
CID 7492050
3-(3-methylbutoxy)-N-(3-propoxyphenyl)benzamide
CID 17096779
3-(2-methylpropoxy)-N-(3-propoxyphenyl)benzamide
CID 17140377
N-[3-[[3-(1,3-thiazol-4-ylmethoxy)benzoyl]amino]phenyl]thiophene-2-carboxamide
CID 31521005
ethyl 2-[3-[[4-(thiophene-2-carbonylamino)benzoyl]amino]phenoxy]acetate
CID 39268528
N-[3-(2-amino-2-oxoethoxy)phenyl]thiophene-2-carboxamide
CID 46529043
N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18140938
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-butoxy-N-(3-ethoxyphenyl)benzamide
CID 17098184

Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide (CID 34368537) is N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is CCCOc1cccc(NC(=O)c2cccc(NC(=O)c3cccs3)c2)c1.
What is the InChIKey of N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
The InChIKey is IDMCLVXYGHWCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3S/c1-2-11-26-18-9-4-8-17(14-18)22-20(24)15-6-3-7-16(13-15)23-21(25)19-10-5-12-27-19/h3-10,12-14H,2,11H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide?
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide has a molecular weight of 380.47 g/mol, XLogP of 5.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 34368537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).