N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide

C19H22N4O3S — CID 69447732

IUPACN-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide
SMILESNC(=O)c1c(NC(=O)N2CCN(c3ccccc3)CC2)sc2c1CCOC2
InChIInChI=1S/C19H22N4O3S/c20-17(24)16-14-6-11-26-12-15(14)27-18(16)21-19(25)23-9-7-22(8-10-23)13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,20,24)(H,21,25)
InChIKeyCQUWXVIQPSLQAG-UHFFFAOYSA-N
MW386.48 g/mol
LogP2.27
Rot. Bonds3

About N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide

N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide (PubChem CID 69447732) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide
PubChem CID69447732
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC NameN-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide
SMILESNC(=O)c1c(NC(=O)N2CCN(c3ccccc3)CC2)sc2c1CCOC2
InChIInChI=1S/C19H22N4O3S/c20-17(24)16-14-6-11-26-12-15(14)27-18(16)21-19(25)23-9-7-22(8-10-23)13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,20,24)(H,21,25)
InChIKeyCQUWXVIQPSLQAG-UHFFFAOYSA-N
XLogP2.27
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(hydrazinecarbonylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450407
2-[(2-ethylphenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69450304
2-(dimethylcarbamoylamino)-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448613
2-[[2-(2,6-dichlorophenyl)sulfanylacetyl]amino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69446712
2-[bis(2-hydroxyethyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69449815
2-[(3-iodophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69445676
2-[(3-fluorophenyl)carbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448121
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
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-ethylpiperazine-1-carboxamide
CID 2322555
methyl 2-[(4-phenylpiperazine-1-carbothioyl)amino]-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxylate
CID 19654367
2-[(5-methylfuran-2-yl)methylcarbamoylamino]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxamide
CID 69448827

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide?
The IUPAC name of N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide (CID 69447732) is N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide?
The canonical SMILES for N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide is NC(=O)c1c(NC(=O)N2CCN(c3ccccc3)CC2)sc2c1CCOC2.
What is the InChIKey of N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide?
The InChIKey is CQUWXVIQPSLQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c20-17(24)16-14-6-11-26-12-15(14)27-18(16)21-19(25)23-9-7-22(8-10-23)13-4-2-1-3-5-13/h1-5H,6-12H2,(H2,20,24)(H,21,25).
What are the key properties of N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide?
N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-5,7-dihydro-4H-thieno[2,3-c]pyran-2-yl)-4-phenylpiperazine-1-carboxamide is sourced from PubChem (CID 69447732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).