N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide

C16H18N2O3S — CID 18161069

IUPACN-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCOCC(C)NC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O3S/c1-11(10-21-2)17-15(19)12-5-3-6-13(9-12)18-16(20)14-7-4-8-22-14/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHXIHEUKAAOMLRX-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.77
Rot. Bonds6

About N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide

N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide (PubChem CID 18161069) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
PubChem CID18161069
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide
SMILESCOCC(C)NC(=O)c1cccc(NC(=O)c2cccs2)c1
InChIInChI=1S/C16H18N2O3S/c1-11(10-21-2)17-15(19)12-5-3-6-13(9-12)18-16(20)14-7-4-8-22-14/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20)
InChIKeyHXIHEUKAAOMLRX-UHFFFAOYSA-N
XLogP2.77
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[[(2S)-1-methoxypropan-2-yl]amino]-2-oxoethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 27044974
N-[(2S)-1-methoxypropan-2-yl]thiophene-2-carboxamide
CID 670280
N-[3-[bis(4-methoxyphenyl)methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 35091110
N-[3-[[4-(3-methylbutanoylamino)phenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 33027717
N-[3-[(3-propoxyphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 34368537
(2S)-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]hexanoic acid
CID 120614324
[2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 3-(thiophene-2-carbonylamino)benzoate
CID 7888749
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
N-[3-(methoxymethyl)phenyl]thiophene-2-carboxamide
CID 32638339
dimethyl-[(2S)-2-phenyl-2-[[3-(thiophene-2-carbonylamino)benzoyl]amino]ethyl]azanium
CID 8938021
methyl 3-[2-(thiophene-2-carbonylamino)propanoylamino]benzoate
CID 134055695
[(2S)-1-amino-1-oxopropan-2-yl] 3-(thiophene-2-carbonylamino)benzoate
CID 8597716

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide (CID 18161069) is N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide is COCC(C)NC(=O)c1cccc(NC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
The InChIKey is HXIHEUKAAOMLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-11(10-21-2)17-15(19)12-5-3-6-13(9-12)18-16(20)14-7-4-8-22-14/h3-9,11H,10H2,1-2H3,(H,17,19)(H,18,20).
What are the key properties of N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide?
N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-methoxypropan-2-ylcarbamoyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 18161069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).