N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide

C17H22N2O4S — CID 22554744

IUPACN-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)Cc2ccc(C(=O)NCCN(C)C)o2)cc1
InChIInChI=1S/C17H22N2O4S/c1-19(2)11-10-18-17(20)16-9-6-14(23-16)12-24(21)15-7-4-13(22-3)5-8-15/h4-9H,10-12H2,1-3H3,(H,18,20)
InChIKeyBTPXWEVHFQWXNW-UHFFFAOYSA-N
MW350.44 g/mol
LogP1.89
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide

N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide (PubChem CID 22554744) has the molecular formula C17H22N2O4S and a molecular weight of 350.44 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
PubChem CID22554744
Molecular FormulaC17H22N2O4S
Molecular Weight350.44 g/mol
Exact Mass350.13
IUPAC NameN-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
SMILESCOc1ccc(S(=O)Cc2ccc(C(=O)NCCN(C)C)o2)cc1
InChIInChI=1S/C17H22N2O4S/c1-19(2)11-10-18-17(20)16-9-6-14(23-16)12-24(21)15-7-4-13(22-3)5-8-15/h4-9H,10-12H2,1-3H3,(H,18,20)
InChIKeyBTPXWEVHFQWXNW-UHFFFAOYSA-N
XLogP1.89
TPSA71.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-thiophen-2-ylethyl)furan-2-carboxamide
CID 22554763
5-[(4-methoxyphenyl)sulfinylmethyl]-N-(2-morpholin-4-ylethyl)furan-2-carboxamide
CID 22554751
5-[[(S)-(4-methoxyphenyl)sulfinyl]methyl]furan-2-carboxylic acid
CID 51550617
N-[(3-bromophenyl)methyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554770
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-fluorophenyl)sulfinylmethyl]furan-2-carboxamide
CID 20899287
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-bromophenyl)sulfinylmethyl]furan-2-carboxamide
CID 22554639
5-[(4-chlorophenyl)sulfinylmethyl]-N-(3-methoxyphenyl)furan-2-carboxamide
CID 22554674
5-[(4-bromophenyl)sulfinylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 20859545
N-[2-(dimethylamino)ethyl]-5-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]furan-2-carboxamide
CID 46055967
1-[2-(dimethylamino)ethyl]-3-[(4-methoxyphenyl)methyl]urea
CID 108868221
N'-[2-(dimethylamino)ethyl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 44996184
5-[(3-chlorophenyl)sulfinylmethyl]-N-[(3-methoxyphenyl)methyl]furan-2-carboxamide
CID 22554498

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide (CID 22554744) is N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide is COc1ccc(S(=O)Cc2ccc(C(=O)NCCN(C)C)o2)cc1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
The InChIKey is BTPXWEVHFQWXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S/c1-19(2)11-10-18-17(20)16-9-6-14(23-16)12-24(21)15-7-4-13(22-3)5-8-15/h4-9H,10-12H2,1-3H3,(H,18,20).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide?
N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-[(4-methoxyphenyl)sulfinylmethyl]furan-2-carboxamide is sourced from PubChem (CID 22554744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).