N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide

C14H19ClN2O3S — CID 56820485

IUPACN-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide
SMILESCOCCOc1c(Cl)cccc1NC(=O)N1CCSCC1
InChIInChI=1S/C14H19ClN2O3S/c1-19-7-8-20-13-11(15)3-2-4-12(13)16-14(18)17-5-9-21-10-6-17/h2-4H,5-10H2,1H3,(H,16,18)
InChIKeyCKEXGDBZKWXBNR-UHFFFAOYSA-N
MW330.84 g/mol
LogP2.95
Rot. Bonds5

About N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide

N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide (PubChem CID 56820485) has the molecular formula C14H19ClN2O3S and a molecular weight of 330.84 g/mol. Its IUPAC name is N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide
PubChem CID56820485
Molecular FormulaC14H19ClN2O3S
Molecular Weight330.84 g/mol
Exact Mass330.08
IUPAC NameN-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide
SMILESCOCCOc1c(Cl)cccc1NC(=O)N1CCSCC1
InChIInChI=1S/C14H19ClN2O3S/c1-19-7-8-20-13-11(15)3-2-4-12(13)16-14(18)17-5-9-21-10-6-17/h2-4H,5-10H2,1H3,(H,16,18)
InChIKeyCKEXGDBZKWXBNR-UHFFFAOYSA-N
XLogP2.95
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[[3-chloro-2-(2-methoxyethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122078161
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-[[(3R)-1,1-dioxothiolan-3-yl]amino]piperidine-1-carboxamide
CID 97325404
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-2-(1,1-dioxo-1,4-thiazinan-4-yl)acetamide
CID 47081676
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 95177667
2-(4-aminophenyl)-N-[3-chloro-2-(2-methoxyethoxy)phenyl]acetamide;hydrochloride
CID 86813908
4-amino-N-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-methoxybutanamide
CID 120590484
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86851215
1-[3-chloro-2-(2-methoxyethoxy)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60594908
N-(3-chloro-2-methoxyphenyl)-4-cyclopentylpiperazine-1-carboxamide
CID 86837947
N-[2-(3-methoxypropoxy)phenyl]pyrrolidine-1-carboxamide
CID 47373598
1-[(3-chloro-2-methoxyphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 122077688
N-[3-chloro-2-(2-methoxyethoxy)phenyl]-4-oxochromene-2-carboxamide
CID 47081673

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide (CID 56820485) is N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide is COCCOc1c(Cl)cccc1NC(=O)N1CCSCC1.
What is the InChIKey of N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide?
The InChIKey is CKEXGDBZKWXBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O3S/c1-19-7-8-20-13-11(15)3-2-4-12(13)16-14(18)17-5-9-21-10-6-17/h2-4H,5-10H2,1H3,(H,16,18).
What are the key properties of N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide?
N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide has a molecular weight of 330.84 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(2-methoxyethoxy)phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 56820485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).