N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide

C22H32N2O3S — CID 42775686

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCOc1ccc(CCN(Cc2ccc(C)s2)C(=O)CNCC(C)C)cc1OC
InChIInChI=1S/C22H32N2O3S/c1-16(2)13-23-14-22(25)24(15-19-8-6-17(3)28-19)11-10-18-7-9-20(26-4)21(12-18)27-5/h6-9,12,16,23H,10-11,13-15H2,1-5H3
InChIKeyHLPNQURODHJJEX-UHFFFAOYSA-N
MW404.58 g/mol
LogP3.89
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide (PubChem CID 42775686) has the molecular formula C22H32N2O3S and a molecular weight of 404.58 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide
PubChem CID42775686
Molecular FormulaC22H32N2O3S
Molecular Weight404.58 g/mol
Exact Mass404.21
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide
SMILESCOc1ccc(CCN(Cc2ccc(C)s2)C(=O)CNCC(C)C)cc1OC
InChIInChI=1S/C22H32N2O3S/c1-16(2)13-23-14-22(25)24(15-19-8-6-17(3)28-19)11-10-18-7-9-20(26-4)21(12-18)27-5/h6-9,12,16,23H,10-11,13-15H2,1-5H3
InChIKeyHLPNQURODHJJEX-UHFFFAOYSA-N
XLogP3.89
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[tert-butylcarbamoyl(propan-2-yl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 4556189
3,5-dichloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)benzamide
CID 4543368
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]-2-[(2-phenoxyacetyl)-propan-2-ylamino]acetamide
CID 3891262
2-[acetyl(butyl)amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3358509
3-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 3622952
N-butan-2-yl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-4-ethylbenzamide
CID 5145974
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-(2-methylpropyl)-1,3-benzodioxole-5-carboxamide
CID 5183124
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylnaphthalene-2-carboxamide
CID 3443001
2-[(2,4-difluorophenyl)carbamoyl-propan-2-ylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 3470266
2-[(3-bromophenyl)carbamoyl-propan-2-ylamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(5-methylthiophen-2-yl)methyl]acetamide
CID 5126592
N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]-N-propylcyclobutanecarboxamide
CID 42777615
N,4-dibutyl-N-[2-[2-(3,4-dimethoxyphenyl)ethyl-[(5-methylthiophen-2-yl)methyl]amino]-2-oxoethyl]benzamide
CID 5112185

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide (CID 42775686) is N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide is COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CNCC(C)C)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
The InChIKey is HLPNQURODHJJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3S/c1-16(2)13-23-14-22(25)24(15-19-8-6-17(3)28-19)11-10-18-7-9-20(26-4)21(12-18)27-5/h6-9,12,16,23H,10-11,13-15H2,1-5H3.
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide has a molecular weight of 404.58 g/mol, XLogP of 3.89, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]acetamide is sourced from PubChem (CID 42775686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).