6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide

C22H18N4O2S2 — CID 23832655

IUPAC6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)csc1NC(=O)c1sc2nc3c(cc2c1N)CCC3
InChIInChI=1S/C22H18N4O2S2/c23-17-13-9-12-7-4-8-15(12)25-21(13)30-18(17)20(28)26-22-16(19(24)27)14(10-29-22)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,23H2,(H2,24,27)(H,26,28)
InChIKeyHDPMIPZGFAOGCC-UHFFFAOYSA-N
MW434.55 g/mol
LogP4.45
Rot. Bonds4

About 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide

6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide (PubChem CID 23832655) has the molecular formula C22H18N4O2S2 and a molecular weight of 434.55 g/mol. Its IUPAC name is 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide.

Molecular Properties

Compound Name6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
PubChem CID23832655
Molecular FormulaC22H18N4O2S2
Molecular Weight434.55 g/mol
Exact Mass434.09
IUPAC Name6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
SMILESNC(=O)c1c(-c2ccccc2)csc1NC(=O)c1sc2nc3c(cc2c1N)CCC3
InChIInChI=1S/C22H18N4O2S2/c23-17-13-9-12-7-4-8-15(12)25-21(13)30-18(17)20(28)26-22-16(19(24)27)14(10-29-22)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,23H2,(H2,24,27)(H,26,28)
InChIKeyHDPMIPZGFAOGCC-UHFFFAOYSA-N
XLogP4.45
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.55
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-amino-6-tert-butyl-N-(3-carbamoyl-4-phenylthiophen-2-yl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 23916897
propan-2-yl 2-[(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 23888876
propan-2-yl 2-[(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate
CID 23832662
propan-2-yl 2-[(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]-4-(4-chlorophenyl)thiophene-3-carboxylate
CID 23803875
propan-2-yl 2-[(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonyl)amino]-4-(4-bromophenyl)thiophene-3-carboxylate
CID 23774793
6-amino-N-(3-carbamoyl-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23774785
methyl 2-[(6-amino-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carbonyl)amino]-4,5-dihydrobenzo[g][1]benzothiole-3-carboxylate
CID 23858349
3-amino-N-(2-fluorophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 2059515
6-amino-N-(4-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 839017
6-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 23942262
6-amino-N-(3-bromo-2-methylphenyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 127028958
6-amino-N-(1,3-thiazol-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide
CID 805392

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide?
The IUPAC name of 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide (CID 23832655) is 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide.
What is the SMILES notation for 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide?
The canonical SMILES for 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide is NC(=O)c1c(-c2ccccc2)csc1NC(=O)c1sc2nc3c(cc2c1N)CCC3.
What is the InChIKey of 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide?
The InChIKey is HDPMIPZGFAOGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O2S2/c23-17-13-9-12-7-4-8-15(12)25-21(13)30-18(17)20(28)26-22-16(19(24)27)14(10-29-22)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8,23H2,(H2,24,27)(H,26,28).
What are the key properties of 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide?
6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide has a molecular weight of 434.55 g/mol, XLogP of 4.45, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-(3-carbamoyl-4-phenylthiophen-2-yl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8-tetraene-5-carboxamide is sourced from PubChem (CID 23832655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).