N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

C17H19ClN2O3S — CID 99865873

IUPACN-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12(19-16(21)15-4-3-11-24-15)17(22)20(2)9-10-23-14-7-5-13(18)6-8-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyLNBDBCZSFIPKIK-GFCCVEGCSA-N
MW366.87 g/mol
LogP3.06
Rot. Bonds7

About N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide

N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (PubChem CID 99865873) has the molecular formula C17H19ClN2O3S and a molecular weight of 366.87 g/mol. Its IUPAC name is N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
PubChem CID99865873
Molecular FormulaC17H19ClN2O3S
Molecular Weight366.87 g/mol
Exact Mass366.08
IUPAC NameN-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
SMILESC[C@@H](NC(=O)c1cccs1)C(=O)N(C)CCOc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S/c1-12(19-16(21)15-4-3-11-24-15)17(22)20(2)9-10-23-14-7-5-13(18)6-8-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)/t12-/m1/s1
InChIKeyLNBDBCZSFIPKIK-GFCCVEGCSA-N
XLogP3.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(4-chlorophenoxy)ethyl-methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 78784190
N-[3-methyl-1-[methyl(2-phenoxyethyl)amino]-1-oxobutan-2-yl]thiophene-2-carboxamide
CID 51195458
N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
N-[[4-[2-(4-chlorophenoxy)ethyl-methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55758053
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-2-(methylamino)propanamide
CID 60718587
N-methyl-N-(2-phenoxyethyl)thiophene-2-carboxamide
CID 60630814
2-chloro-N-[1-[3-(4-fluorophenoxy)propyl-methylamino]-1-oxopropan-2-yl]benzamide
CID 46435034
3-amino-N-[2-(4-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 61114488
N-[(2S)-1-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 24552177
(2R)-2-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3,3-trimethylbutanamide
CID 103929089
N-[1-[(4-cyanophenyl)methyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 134004262
N-[1-[3-hydroxypropyl(propan-2-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 61039914

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The IUPAC name of N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide (CID 99865873) is N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is C[C@@H](NC(=O)c1cccs1)C(=O)N(C)CCOc1ccc(Cl)cc1.
What is the InChIKey of N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
The InChIKey is LNBDBCZSFIPKIK-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19ClN2O3S/c1-12(19-16(21)15-4-3-11-24-15)17(22)20(2)9-10-23-14-7-5-13(18)6-8-14/h3-8,11-12H,9-10H2,1-2H3,(H,19,21)/t12-/m1/s1.
What are the key properties of N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide?
N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide has a molecular weight of 366.87 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-[2-(4-chlorophenoxy)ethyl-methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 99865873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).