N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide

C22H31N3O4S — CID 3970624

IUPACN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide
SMILESCOCCN(Cc1ccc(C)o1)C(=O)CN(C(=O)Nc1ccc(SC)cc1)C(C)C
InChIInChI=1S/C22H31N3O4S/c1-16(2)25(22(27)23-18-7-10-20(30-5)11-8-18)15-21(26)24(12-13-28-4)14-19-9-6-17(3)29-19/h6-11,16H,12-15H2,1-5H3,(H,23,27)
InChIKeyGRGUAPRTSDEWBK-UHFFFAOYSA-N
MW433.57 g/mol
LogP4.23
Rot. Bonds10

About N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide

N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide (PubChem CID 3970624) has the molecular formula C22H31N3O4S and a molecular weight of 433.57 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide
PubChem CID3970624
Molecular FormulaC22H31N3O4S
Molecular Weight433.57 g/mol
Exact Mass433.20
IUPAC NameN-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide
SMILESCOCCN(Cc1ccc(C)o1)C(=O)CN(C(=O)Nc1ccc(SC)cc1)C(C)C
InChIInChI=1S/C22H31N3O4S/c1-16(2)25(22(27)23-18-7-10-20(30-5)11-8-18)15-21(26)24(12-13-28-4)14-19-9-6-17(3)29-19/h6-11,16H,12-15H2,1-5H3,(H,23,27)
InChIKeyGRGUAPRTSDEWBK-UHFFFAOYSA-N
XLogP4.23
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.57
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide
CID 4538535
4-bromo-N-[2-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-N-propan-2-ylbenzamide
CID 3982062
3-chloro-N-[2-[2-methoxyethyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 5138156
N-(2-methoxyethyl)-2-[(4-methylphenyl)carbamoyl-propan-2-ylamino]-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4660693
3-(3,4-dimethylphenyl)-1-(2-methoxyethyl)-1-[(5-methylfuran-2-yl)methyl]urea
CID 3882072
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]pentanamide
CID 42773278
N-benzyl-2-[(3-methoxyphenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 4188769
N-benzyl-2-[2-methoxyethyl-[(4-nitrophenyl)carbamoyl]amino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 3274981
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-bromophenyl)carbamoyl-propan-2-ylamino]-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 5054943
methyl (2S)-2-[2-methoxyethyl-[2-[(5-methylfuran-2-yl)methyl-(2-phenylethyl)amino]-2-oxoethyl]amino]propanoate
CID 7360740
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[propan-2-yl-(2,4,6-trimethylphenyl)sulfonylamino]acetamide
CID 4274303
1-(2-methoxyethyl)-3,3-dimethyl-1-[(5-methylfuran-2-yl)methyl]urea
CID 4238686

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide?
The IUPAC name of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide (CID 3970624) is N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide is COCCN(Cc1ccc(C)o1)C(=O)CN(C(=O)Nc1ccc(SC)cc1)C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide?
The InChIKey is GRGUAPRTSDEWBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O4S/c1-16(2)25(22(27)23-18-7-10-20(30-5)11-8-18)15-21(26)24(12-13-28-4)14-19-9-6-17(3)29-19/h6-11,16H,12-15H2,1-5H3,(H,23,27).
What are the key properties of N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide?
N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide has a molecular weight of 433.57 g/mol, XLogP of 4.23, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-[(5-methylfuran-2-yl)methyl]-2-[(4-methylsulfanylphenyl)carbamoyl-propan-2-ylamino]acetamide is sourced from PubChem (CID 3970624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).