N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide

C16H18N2O3S — CID 86999840

IUPACN-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OCCC(N)=O)sc1C
InChIInChI=1S/C16H18N2O3S/c1-10-9-14(22-11(10)2)16(20)18-12-5-3-4-6-13(12)21-8-7-15(17)19/h3-6,9H,7-8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeySVSLQMUHWZHZGM-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.87
Rot. Bonds6

About N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide

N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide (PubChem CID 86999840) has the molecular formula C16H18N2O3S and a molecular weight of 318.40 g/mol. Its IUPAC name is N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide
PubChem CID86999840
Molecular FormulaC16H18N2O3S
Molecular Weight318.40 g/mol
Exact Mass318.10
IUPAC NameN-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2OCCC(N)=O)sc1C
InChIInChI=1S/C16H18N2O3S/c1-10-9-14(22-11(10)2)16(20)18-12-5-3-4-6-13(12)21-8-7-15(17)19/h3-6,9H,7-8H2,1-2H3,(H2,17,19)(H,18,20)
InChIKeySVSLQMUHWZHZGM-UHFFFAOYSA-N
XLogP2.87
TPSA81.42 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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-5-methyl-N-(2-propoxyphenyl)thiophene-2-carboxamide
CID 30235573
N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dihydrobenzo[g][1]benzothiole-2-carboxamide
CID 60530751
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methyl-5-methylsulfonylbenzamide
CID 55881745
2-amino-N-[2-(3-amino-3-oxopropoxy)phenyl]-2-ethylbutanamide
CID 79813998
N-(2-ethoxyphenyl)-5-ethyl-4-methylthiophene-2-carboxamide
CID 4820666
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methylpropanamide
CID 47239947
2-[2-[(4,5-dimethylthiophene-2-carbonyl)amino]phenyl]acetic acid
CID 62534584
N-[2-(3-amino-3-oxopropoxy)phenyl]-2,4-dimethoxybenzamide
CID 55769477
2-[2-[(5-bromo-4-methylthiophene-2-carbonyl)amino]phenoxy]acetic acid
CID 79975729
N-[2-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]-4,5-dimethylthiophene-2-carboxamide
CID 78777792
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-methoxy-2-methylpropanamide
CID 103028884
N-[2-(3-amino-3-oxopropoxy)phenyl]-2-bromopropanamide
CID 114014367

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide (CID 86999840) is N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide is Cc1cc(C(=O)Nc2ccccc2OCCC(N)=O)sc1C.
What is the InChIKey of N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is SVSLQMUHWZHZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3S/c1-10-9-14(22-11(10)2)16(20)18-12-5-3-4-6-13(12)21-8-7-15(17)19/h3-6,9H,7-8H2,1-2H3,(H2,17,19)(H,18,20).
What are the key properties of N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide?
N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 318.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-amino-3-oxopropoxy)phenyl]-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 86999840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).