N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

C23H23N3O3S2 — CID 55797175

IUPACN-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1c(-n2cccc2)sc2c1CCSC2
InChIInChI=1S/C23H23N3O3S2/c27-21(20-18-6-13-30-15-19(18)31-23(20)26-7-1-2-8-26)24-17-5-3-4-16(14-17)22(28)25-9-11-29-12-10-25/h1-5,7-8,14H,6,9-13,15H2,(H,24,27)
InChIKeyZVZGUGRWLGOCHY-UHFFFAOYSA-N
MW453.59 g/mol
LogP4.05
Rot. Bonds4

About N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide

N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (PubChem CID 55797175) has the molecular formula C23H23N3O3S2 and a molecular weight of 453.59 g/mol. Its IUPAC name is N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.

Molecular Properties

Compound NameN-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
PubChem CID55797175
Molecular FormulaC23H23N3O3S2
Molecular Weight453.59 g/mol
Exact Mass453.12
IUPAC NameN-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
SMILESO=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1c(-n2cccc2)sc2c1CCSC2
InChIInChI=1S/C23H23N3O3S2/c27-21(20-18-6-13-30-15-19(18)31-23(20)26-7-1-2-8-26)24-17-5-3-4-16(14-17)22(28)25-9-11-29-12-10-25/h1-5,7-8,14H,6,9-13,15H2,(H,24,27)
InChIKeyZVZGUGRWLGOCHY-UHFFFAOYSA-N
XLogP4.05
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.59
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-acetamidophenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 26720406
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 55433586
N-[4-(pyrrolidine-1-carbonyl)phenyl]-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 46533257
N-(3-acetamidophenyl)-2-pyrrol-1-yl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 26720387
(3-anilinopyrrolidin-1-yl)-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone
CID 56581064
N-[3-(morpholine-4-carbonyl)phenyl]-4-phenylbenzamide
CID 17205412
[(3R)-3-methylpiperidin-1-yl]-(2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-yl)methanone
CID 36706847
[3-(hydroxyamino)phenyl]-morpholin-4-ylmethanone
CID 59690262
N-(2,5-diethoxyphenyl)-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide
CID 46632467
2-iodo-N-[3-(morpholine-4-carbonyl)phenyl]benzamide
CID 17205432
N-[3-(morpholine-4-carbonyl)phenyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86996534
2-methyl-N-[3-(morpholine-4-carbonyl)phenyl]propanamide
CID 4094749

Frequently Asked Questions

What is the IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The IUPAC name of N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide (CID 55797175) is N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide.
What is the SMILES notation for N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The canonical SMILES for N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is O=C(Nc1cccc(C(=O)N2CCOCC2)c1)c1c(-n2cccc2)sc2c1CCSC2.
What is the InChIKey of N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
The InChIKey is ZVZGUGRWLGOCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S2/c27-21(20-18-6-13-30-15-19(18)31-23(20)26-7-1-2-8-26)24-17-5-3-4-16(14-17)22(28)25-9-11-29-12-10-25/h1-5,7-8,14H,6,9-13,15H2,(H,24,27).
What are the key properties of N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide?
N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide has a molecular weight of 453.59 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(morpholine-4-carbonyl)phenyl]-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]thiopyran-3-carboxamide is sourced from PubChem (CID 55797175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).