2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide

C27H31N3O4S — CID 26596817

IUPAC2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C27H31N3O4S/c1-19-24(27(32)30-13-15-34-16-14-30)26(35-25(19)20-9-5-4-6-10-20)28-23(31)18-29(2)17-21-11-7-8-12-22(21)33-3/h4-12H,13-18H2,1-3H3,(H,28,31)
InChIKeyQMEXIDQJQRHVPN-UHFFFAOYSA-N
MW493.63 g/mol
LogP4.28
Rot. Bonds8

About 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide

2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide (PubChem CID 26596817) has the molecular formula C27H31N3O4S and a molecular weight of 493.63 g/mol. Its IUPAC name is 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
PubChem CID26596817
Molecular FormulaC27H31N3O4S
Molecular Weight493.63 g/mol
Exact Mass493.20
IUPAC Name2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
SMILESCOc1ccccc1CN(C)CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C27H31N3O4S/c1-19-24(27(32)30-13-15-34-16-14-30)26(35-25(19)20-9-5-4-6-10-20)28-23(31)18-29(2)17-21-11-7-8-12-22(21)33-3/h4-12H,13-18H2,1-3H3,(H,28,31)
InChIKeyQMEXIDQJQRHVPN-UHFFFAOYSA-N
XLogP4.28
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,6-dimethylphenoxy)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 26071737
(2E,4E)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]hexa-2,4-dienamide
CID 18282194
ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate
CID 16566650
3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
CID 16559104
3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide
CID 31287590
2-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 24600695
4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
CID 24617829
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 16564184
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33170746
2-[methyl-[(2-phenoxyphenyl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 17424105
2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-4-nitrobenzamide
CID 26071848
ethyl 2-[[2-[(2,3-dimethoxyphenyl)methyl-methylamino]acetyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 8014461

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide?
The IUPAC name of 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide (CID 26596817) is 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide.
What is the SMILES notation for 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide?
The canonical SMILES for 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide is COc1ccccc1CN(C)CC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1.
What is the InChIKey of 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide?
The InChIKey is QMEXIDQJQRHVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4S/c1-19-24(27(32)30-13-15-34-16-14-30)26(35-25(19)20-9-5-4-6-10-20)28-23(31)18-29(2)17-21-11-7-8-12-22(21)33-3/h4-12H,13-18H2,1-3H3,(H,28,31).
What are the key properties of 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide?
2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide has a molecular weight of 493.63 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenyl)methyl-methylamino]-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide is sourced from PubChem (CID 26596817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).