7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide

C22H19N3O3S — CID 66605414

IUPAC7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccsc2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C22H19N3O3S/c23-21(26)18-10-15(14-3-8-29-12-14)9-17-16-2-1-13(11-19(16)24-20(17)18)22(27)25-4-6-28-7-5-25/h1-3,8-12,24H,4-7H2,(H2,23,26)
InChIKeyDLMWLCPSCGVRGN-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.62
Rot. Bonds3

About 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide

7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide (PubChem CID 66605414) has the molecular formula C22H19N3O3S and a molecular weight of 405.48 g/mol. Its IUPAC name is 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide
PubChem CID66605414
Molecular FormulaC22H19N3O3S
Molecular Weight405.48 g/mol
Exact Mass405.11
IUPAC Name7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide
SMILESNC(=O)c1cc(-c2ccsc2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12
InChIInChI=1S/C22H19N3O3S/c23-21(26)18-10-15(14-3-8-29-12-14)9-17-16-2-1-13(11-19(16)24-20(17)18)22(27)25-4-6-28-7-5-25/h1-3,8-12,24H,4-7H2,(H2,23,26)
InChIKeyDLMWLCPSCGVRGN-UHFFFAOYSA-N
XLogP3.62
TPSA88.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,5-dichloro-4-methoxyphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605846
3-(4-fluoro-2-methylphenyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66604597
3-(3-chloro-4-pyridinyl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carboxamide
CID 66605501
7-(morpholine-4-carbonyl)-3-(2-phenylethenyl)-9H-carbazole-1-carboxamide
CID 66605058
3-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(morpholine-4-carbonyl)-9H-carbazole-1-carbothioamide
CID 90375232
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-fluorene-1-carboxamide
CID 159441478
CID 90383768
CID 90383768
tert-butyl 4-[1-carbamoyl-7-(morpholine-4-carbonyl)-9H-carbazol-3-yl]piperidine-1-carboxylate
CID 66604497
2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 89054047
3-(3-fluoro-4-methoxyphenyl)-7-[2-(hydroxymethyl)morpholine-4-carbonyl]-9H-carbazole-1-carboxamide
CID 66599529
7-[4-(2-hydroxyethyl)-1,4-diazepane-1-carbonyl]-3-(3-methoxyphenyl)-9H-carbazole-1-carboxamide
CID 66605279
7-(2,6-dimethylmorpholine-4-carbonyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide
CID 90376698

Frequently Asked Questions

What is the IUPAC name of 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide?
The IUPAC name of 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide (CID 66605414) is 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide.
What is the SMILES notation for 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide?
The canonical SMILES for 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide is NC(=O)c1cc(-c2ccsc2)cc2c1[nH]c1cc(C(=O)N3CCOCC3)ccc12.
What is the InChIKey of 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide?
The InChIKey is DLMWLCPSCGVRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S/c23-21(26)18-10-15(14-3-8-29-12-14)9-17-16-2-1-13(11-19(16)24-20(17)18)22(27)25-4-6-28-7-5-25/h1-3,8-12,24H,4-7H2,(H2,23,26).
What are the key properties of 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide?
7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(morpholine-4-carbonyl)-3-thiophen-3-yl-9H-carbazole-1-carboxamide is sourced from PubChem (CID 66605414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).