N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide

C18H24N4O4S — CID 53191106

IUPACN-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide
SMILESCCn1c(CNC(C)=O)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2
InChIInChI=1S/C18H24N4O4S/c1-4-22-17-12-21(10-9-16(17)20-18(22)11-19-13(2)23)27(24,25)15-7-5-14(26-3)6-8-15/h5-8H,4,9-12H2,1-3H3,(H,19,23)
InChIKeyUEECOPIYUNJMTP-UHFFFAOYSA-N
MW392.48 g/mol
LogP1.29
Rot. Bonds6

About N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide

N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide (PubChem CID 53191106) has the molecular formula C18H24N4O4S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide
PubChem CID53191106
Molecular FormulaC18H24N4O4S
Molecular Weight392.48 g/mol
Exact Mass392.15
IUPAC NameN-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide
SMILESCCn1c(CNC(C)=O)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2
InChIInChI=1S/C18H24N4O4S/c1-4-22-17-12-21(10-9-16(17)20-18(22)11-19-13(2)23)27(24,25)15-7-5-14(26-3)6-8-15/h5-8H,4,9-12H2,1-3H3,(H,19,23)
InChIKeyUEECOPIYUNJMTP-UHFFFAOYSA-N
XLogP1.29
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?
The IUPAC name of N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide (CID 53191106) is N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide is CCn1c(CNC(C)=O)nc2c1CN(S(=O)(=O)c1ccc(OC)cc1)CC2.
What is the InChIKey of N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?
The InChIKey is UEECOPIYUNJMTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4S/c1-4-22-17-12-21(10-9-16(17)20-18(22)11-19-13(2)23)27(24,25)15-7-5-14(26-3)6-8-15/h5-8H,4,9-12H2,1-3H3,(H,19,23).
What are the key properties of N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide?
N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide has a molecular weight of 392.48 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-(4-methoxyphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-2-yl]methyl]acetamide is sourced from PubChem (CID 53191106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).