2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide

C16H18ClN3O3S — CID 35970323

IUPAC2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H18ClN3O3S/c1-8-6-12(13(23-3)7-11(8)17)19-9(2)15(22)20-16-10(14(18)21)4-5-24-16/h4-7,9,19H,1-3H3,(H2,18,21)(H,20,22)/t9-/m1/s1
InChIKeyOKDADTGVCBZHNV-SECBINFHSA-N
MW367.86 g/mol
LogP3.26
Rot. Bonds6

About 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide

2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide (PubChem CID 35970323) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide
PubChem CID35970323
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide
SMILESCOc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1sccc1C(N)=O
InChIInChI=1S/C16H18ClN3O3S/c1-8-6-12(13(23-3)7-11(8)17)19-9(2)15(22)20-16-10(14(18)21)4-5-24-16/h4-7,9,19H,1-3H3,(H2,18,21)(H,20,22)/t9-/m1/s1
InChIKeyOKDADTGVCBZHNV-SECBINFHSA-N
XLogP3.26
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-chloro-2-methoxy-5-methylanilino)-N-(2,3,4-trifluorophenyl)propanamide
CID 2471713
2-(4-chloro-2-methoxy-5-methylanilino)-N-(3-methoxyphenyl)propanamide
CID 42912800
2-(4-chloro-2-methoxy-5-methylanilino)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 134062826
2-bromo-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 107902832
2-(4-chloro-2-methoxy-5-methylanilino)-N-(ethylcarbamoyl)propanamide
CID 18084847
(2R)-N-(4-chloro-2-methoxy-5-methylphenyl)-2-[4-(cyanomethyl)anilino]propanamide
CID 41022398
[1-[(3-carbamoylthiophen-2-yl)amino]-1-oxopropan-2-yl] 2-hydroxy-3-methoxybenzoate
CID 43014617
(2R)-2-chloro-N-(4-chloro-2-methoxy-5-methylphenyl)propanamide
CID 41192472
3-amino-N-(4-chloro-2-methoxy-5-methylphenyl)-3-sulfanylidenepropanamide
CID 28942379
N-(benzylcarbamoyl)-2-(4-chloro-2-methoxy-5-methylanilino)propanamide
CID 18133169
2-(4-chloro-2-methoxy-5-methylanilino)butanamide
CID 55133159
N-[2-[(4-chloro-2-methoxy-5-methylanilino)methyl]thiophen-3-yl]acetamide
CID 66387889

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide?
The IUPAC name of 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide (CID 35970323) is 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide is COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1sccc1C(N)=O.
What is the InChIKey of 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide?
The InChIKey is OKDADTGVCBZHNV-SECBINFHSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c1-8-6-12(13(23-3)7-11(8)17)19-9(2)15(22)20-16-10(14(18)21)4-5-24-16/h4-7,9,19H,1-3H3,(H2,18,21)(H,20,22)/t9-/m1/s1.
What are the key properties of 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide?
2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide has a molecular weight of 367.86 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(4-chloro-2-methoxy-5-methylanilino)propanoyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 35970323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).