N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide

C23H21NOS — CID 46553517

IUPACN-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C23H21NOS/c25-22(13-16-6-5-11-26-16)24-14-15-12-21-17-7-1-3-9-19(17)23(15)20-10-4-2-8-18(20)21/h1-11,15,21,23H,12-14H2,(H,24,25)
InChIKeyBZOZCGWQGUSMRF-UHFFFAOYSA-N
MW359.49 g/mol
LogP4.70
Rot. Bonds4

About N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide

N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide (PubChem CID 46553517) has the molecular formula C23H21NOS and a molecular weight of 359.49 g/mol. Its IUPAC name is N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide
PubChem CID46553517
Molecular FormulaC23H21NOS
Molecular Weight359.49 g/mol
Exact Mass359.13
IUPAC NameN-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCC1CC2c3ccccc3C1c1ccccc12
InChIInChI=1S/C23H21NOS/c25-22(13-16-6-5-11-26-16)24-14-15-12-21-17-7-1-3-9-19(17)23(15)20-10-4-2-8-18(20)21/h1-11,15,21,23H,12-14H2,(H,24,25)
InChIKeyBZOZCGWQGUSMRF-UHFFFAOYSA-N
XLogP4.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.49
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 42940509
N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-thiophen-2-ylacetamide
CID 110709252
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
3-cyclohexyl-N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)propanamide
CID 16762907
N-(2-chloroprop-2-enyl)-2-thiophen-2-ylacetamide
CID 115636481
N-[2-[(2-chloroacetyl)amino]ethyl]-2-thiophen-2-ylacetamide
CID 108573266
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N'-(2-chloroacetyl)-2-thiophen-2-ylacetohydrazide
CID 57169097
2-[2-[[(2-thiophen-2-ylacetyl)amino]methyl]phenyl]acetic acid
CID 81318404
(3R)-3-(carbamoylamino)-3-(2-chlorophenyl)-N-[[(15S)-15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenyl]methyl]propanamide
CID 31826214
N-[2-(2-oxo-1,3-dihydroindol-3-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110730198
4-chloro-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]butanamide
CID 108573245

Frequently Asked Questions

What is the IUPAC name of N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide?
The IUPAC name of N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide (CID 46553517) is N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide?
The canonical SMILES for N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCC1CC2c3ccccc3C1c1ccccc12.
What is the InChIKey of N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide?
The InChIKey is BZOZCGWQGUSMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NOS/c25-22(13-16-6-5-11-26-16)24-14-15-12-21-17-7-1-3-9-19(17)23(15)20-10-4-2-8-18(20)21/h1-11,15,21,23H,12-14H2,(H,24,25).
What are the key properties of N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide?
N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide has a molecular weight of 359.49 g/mol, XLogP of 4.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(15-tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaenylmethyl)-2-thiophen-2-ylacetamide is sourced from PubChem (CID 46553517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).