N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide

C19H28N4O3S — CID 119941665

IUPACN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CC1CSCCN1
InChIInChI=1S/C19H28N4O3S/c1-22-6-8-23(9-7-22)19(25)14-3-4-17(26-2)16(11-14)21-18(24)12-15-13-27-10-5-20-15/h3-4,11,15,20H,5-10,12-13H2,1-2H3,(H,21,24)
InChIKeyDQBHKHAXEKHOPP-UHFFFAOYSA-N
MW392.53 g/mol
LogP1.12
Rot. Bonds5

About N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide

N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide (PubChem CID 119941665) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
PubChem CID119941665
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
SMILESCOc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CC1CSCCN1
InChIInChI=1S/C19H28N4O3S/c1-22-6-8-23(9-7-22)19(25)14-3-4-17(26-2)16(11-14)21-18(24)12-15-13-27-10-5-20-15/h3-4,11,15,20H,5-10,12-13H2,1-2H3,(H,21,24)
InChIKeyDQBHKHAXEKHOPP-UHFFFAOYSA-N
XLogP1.12
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-methoxy-5-(pyrrolidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide
CID 119938014
N-[2-ethoxy-5-(piperidine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119940371
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]propanamide
CID 95178995
N-(5-acetamido-2-methoxyphenyl)-2-thiomorpholin-3-ylacetamide;hydrochloride
CID 119935224
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]acetamide
CID 95178992
2-thiomorpholin-3-yl-N-(2,3,4-trimethoxyphenyl)acetamide
CID 119938248
N-(2-methoxy-4-methylphenyl)-2-thiomorpholin-3-ylacetamide
CID 66420261
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 119866736
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-4-(methylamino)butanamide;dihydrochloride
CID 119866737
7-amino-N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]heptanamide;dihydrochloride
CID 119866731
5-methoxy-2-[(2-thiomorpholin-3-ylacetyl)amino]benzoic acid
CID 115411406
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-3-methyl-3-phenylbutanamide
CID 60596548

Frequently Asked Questions

What is the IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The IUPAC name of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide (CID 119941665) is N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide.
What is the SMILES notation for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The canonical SMILES for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide is COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)CC1CSCCN1.
What is the InChIKey of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
The InChIKey is DQBHKHAXEKHOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-22-6-8-23(9-7-22)19(25)14-3-4-17(26-2)16(11-14)21-18(24)12-15-13-27-10-5-20-15/h3-4,11,15,20H,5-10,12-13H2,1-2H3,(H,21,24).
What are the key properties of N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide?
N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide has a molecular weight of 392.53 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methoxy-5-(4-methylpiperazine-1-carbonyl)phenyl]-2-thiomorpholin-3-ylacetamide is sourced from PubChem (CID 119941665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).