2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

C18H30N4O3S — CID 69449404

IUPAC2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)Nc1sc2c(c1C(N)=O)CCOC2
InChIInChI=1S/C18H30N4O3S/c1-4-22(5-2)9-6-7-12(3)20-18(24)21-17-15(16(19)23)13-8-10-25-11-14(13)26-17/h12H,4-11H2,1-3H3,(H2,19,23)(H2,20,21,24)
InChIKeyWZSDWIFXMXXPNY-UHFFFAOYSA-N
MW382.53 g/mol
LogP2.55
Rot. Bonds9

About 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide

2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (PubChem CID 69449404) has the molecular formula C18H30N4O3S and a molecular weight of 382.53 g/mol. Its IUPAC name is 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.

Molecular Properties

Compound Name2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
PubChem CID69449404
Molecular FormulaC18H30N4O3S
Molecular Weight382.53 g/mol
Exact Mass382.20
IUPAC Name2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
SMILESCCN(CC)CCCC(C)NC(=O)Nc1sc2c(c1C(N)=O)CCOC2
InChIInChI=1S/C18H30N4O3S/c1-4-22(5-2)9-6-7-12(3)20-18(24)21-17-15(16(19)23)13-8-10-25-11-14(13)26-17/h12H,4-11H2,1-3H3,(H2,19,23)(H2,20,21,24)
InChIKeyWZSDWIFXMXXPNY-UHFFFAOYSA-N
XLogP2.55
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.53
LogP ≤ 52.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide with MolForge

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Related Compounds

2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450407
2-(dimethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448613
2-[(2-ethylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450304
2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449815
2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448827
2-(oxolane-3-carbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69447723
2-(2-thiophen-2-ylethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69453010
2-[(3-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448121
2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69445676
2-[(2-methyl-5-nitrophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449450
2-(3-methylbutylcarbamoylamino)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 69452121
2-[[2-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450288

Frequently Asked Questions

What is the IUPAC name of 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The IUPAC name of 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide (CID 69449404) is 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide.
What is the SMILES notation for 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The canonical SMILES for 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is CCN(CC)CCCC(C)NC(=O)Nc1sc2c(c1C(N)=O)CCOC2.
What is the InChIKey of 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
The InChIKey is WZSDWIFXMXXPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3S/c1-4-22(5-2)9-6-7-12(3)20-18(24)21-17-15(16(19)23)13-8-10-25-11-14(13)26-17/h12H,4-11H2,1-3H3,(H2,19,23)(H2,20,21,24).
What are the key properties of 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide?
2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide has a molecular weight of 382.53 g/mol, XLogP of 2.55, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(diethylamino)pentan-2-ylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide is sourced from PubChem (CID 69449404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).