N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

C22H29N3O5S — CID 648173

IUPACN-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C22H29N3O5S/c1-29-13-11-25(19(26)15-23-21(27)18-10-6-14-31-18)20(17-9-5-12-30-17)22(28)24-16-7-3-2-4-8-16/h5-6,9-10,12,14,16,20H,2-4,7-8,11,13,15H2,1H3,(H,23,27)(H,24,28)
InChIKeyIIMGCPITPNFTHB-UHFFFAOYSA-N
MW447.56 g/mol
LogP2.74
Rot. Bonds10

About N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide

N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 648173) has the molecular formula C22H29N3O5S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
PubChem CID648173
Molecular FormulaC22H29N3O5S
Molecular Weight447.56 g/mol
Exact Mass447.18
IUPAC NameN-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
SMILESCOCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccco1
InChIInChI=1S/C22H29N3O5S/c1-29-13-11-25(19(26)15-23-21(27)18-10-6-14-31-18)20(17-9-5-12-30-17)22(28)24-16-7-3-2-4-8-16/h5-6,9-10,12,14,16,20H,2-4,7-8,11,13,15H2,1H3,(H,23,27)(H,24,28)
InChIKeyIIMGCPITPNFTHB-UHFFFAOYSA-N
XLogP2.74
TPSA100.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide (CID 648173) is N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is COCCN(C(=O)CNC(=O)c1cccs1)C(C(=O)NC1CCCCC1)c1ccco1.
What is the InChIKey of N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is IIMGCPITPNFTHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O5S/c1-29-13-11-25(19(26)15-23-21(27)18-10-6-14-31-18)20(17-9-5-12-30-17)22(28)24-16-7-3-2-4-8-16/h5-6,9-10,12,14,16,20H,2-4,7-8,11,13,15H2,1H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide?
N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 2.74, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(cyclohexylamino)-1-(furan-2-yl)-2-oxoethyl]-(2-methoxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 648173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).